#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/20/4502000.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4502000
loop_
_publ_author_name
'Gunanathan, Chidambaram'
'Diskin-Posner, Yael'
'Milstein, David'
_publ_section_title
;
 Lanthanide−Organic Framework of a Rigid Bis-Gd Complex: Composed
 by Carbonate Ions Spacers
;
_journal_issue                   10
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              4235
_journal_paper_doi               10.1021/cg100843k
_journal_volume                  10
_journal_year                    2010
_chemical_formula_moiety
'2(C40 H32 Gd2 N6 O16), 2(C O3), 8Na, 20(H2 O)'
_chemical_formula_sum            'C164 H218 Gd8 N24 Na16 O121'
_chemical_formula_weight         6087.46
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                92.986(2)
_cell_angle_beta                 107.8713(7)
_cell_angle_gamma                107.624(3)
_cell_formula_units_Z            1
_cell_length_a                   18.5386(2)
_cell_length_b                   18.6236(7)
_cell_length_c                   27.2733(6)
_cell_measurement_reflns_used    34877
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      2.55
_cell_volume                     8431.4(4)
_computing_cell_refinement       HKL
_computing_data_collection       'Collect package Bruker-Nonius'
_computing_data_reduction        HKL
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR-97 (Altmore et al, 1994)'
_diffrn_ambient_temperature      120(2)
_diffrn_measured_fraction_theta_full 0.974
_diffrn_measured_fraction_theta_max 0.974
_diffrn_measurement_device_type  'Nonius Kappa CCD'
_diffrn_measurement_method       'Phi and Omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1388
_diffrn_reflns_av_sigmaI/netI    0.0960
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            113377
_diffrn_reflns_theta_full        26.73
_diffrn_reflns_theta_max         26.73
_diffrn_reflns_theta_min         2.55
_exptl_absorpt_coefficient_mu    1.645
_exptl_absorpt_correction_T_max  0.7888
_exptl_absorpt_correction_T_min  0.6358
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'SHELXL-97 (Sheldrick, 1997)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.199
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             3026
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.15
_platon_squeeze_details          ' ?'
_refine_diff_density_max         3.801
_refine_diff_density_min         -2.976
_refine_diff_density_rms         0.223
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.108
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           fullcycle
_refine_ls_number_parameters     1396
_refine_ls_number_reflns         34894
_refine_ls_number_restraints     8
_refine_ls_restrained_S_all      1.108
_refine_ls_R_factor_all          0.1064
_refine_ls_R_factor_gt           0.0898
_refine_ls_shift/su_max          0.011
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1652P)²+8.0557P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2559
_refine_ls_wR_factor_ref         0.2672
_reflns_number_gt                25846
_reflns_number_total             34894
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg100843k_si_001.cif
_cod_data_source_block           m832_3
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_Hall     -P1
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4502000
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Gd1 Gd 0.51076(2) 0.23482(2) 0.898612(12) 0.03322(9) Uani 1 1 d . . .
O2 O 0.6488(3) 0.2773(3) 0.95356(18) 0.0330(11) Uani 1 1 d . . .
C3 C 0.6974(4) 0.3459(5) 0.9628(3) 0.0353(17) Uani 1 1 d . . .
O4 O 0.7598(3) 0.3717(3) 1.00192(18) 0.0371(12) Uani 1 1 d . . .
C5 C 0.6762(5) 0.3987(5) 0.9260(3) 0.0429(19) Uani 1 1 d . . .
H5A H 0.7244 0.4291 0.9185 0.051 Uiso 1 1 calc R . .
H5B H 0.6562 0.4343 0.9419 0.051 Uiso 1 1 calc R . .
N6 N 0.6113(4) 0.3517(4) 0.8757(2) 0.0412(16) Uani 1 1 d . . .
C7 C 0.5703(4) 0.4002(5) 0.8464(3) 0.043(2) Uani 1 1 d D . .
H7A H 0.5987 0.4236 0.8228 0.052 Uiso 1 1 calc R . .
H7B H 0.5709 0.4417 0.8709 0.052 Uiso 1 1 calc R . .
C8 C 0.4808(4) 0.3508(5) 0.8136(3) 0.0407(18) Uani 1 1 d D . .
O9 O 0.4478(3) 0.2921(3) 0.82940(19) 0.0381(12) Uani 1 1 d . . .
O10 O 0.4481(3) 0.3767(3) 0.7746(2) 0.0480(14) Uani 1 1 d . . .
C11 C 0.6535(5) 0.3215(5) 0.8450(3) 0.043(2) Uani 1 1 d . . .
H11A H 0.6893 0.2970 0.8672 0.051 Uiso 1 1 calc R . .
H11B H 0.6866 0.3637 0.8323 0.051 Uiso 1 1 calc R . .
C12 C 0.5896(5) 0.2638(5) 0.7993(3) 0.046(2) Uani 1 1 d . . .
C13 C 0.5814(5) 0.2697(6) 0.7473(3) 0.051(2) Uani 1 1 d . . .
H13 H 0.6176 0.3112 0.7387 0.061 Uiso 1 1 calc R . .
C14 C 0.5198(7) 0.2143(6) 0.7079(3) 0.059(3) Uani 1 1 d . . .
C15 C 0.4719(7) 0.1561(6) 0.7227(3) 0.071(3) Uani 1 1 d . . .
H15 H 0.4294 0.1173 0.6967 0.085 Uiso 1 1 calc R . .
C16 C 0.4827(8) 0.1512(6) 0.7740(4) 0.077(4) Uani 1 1 d . . .
N17 N 0.5421(5) 0.2057(4) 0.8135(2) 0.0488(18) Uani 1 1 d . . .
C18 C 0.4503(7) 0.0839(7) 0.7949(4) 0.078(3) Uani 1 1 d . . .
H18A H 0.4928 0.0615 0.8097 0.094 Uiso 1 1 calc R . .
H18B H 0.4062 0.0455 0.7665 0.094 Uiso 1 1 calc R . .
N19 N 0.4188(4) 0.1035(4) 0.8368(3) 0.0544(15) Uani 1 1 d . . .
C20 C 0.4158(5) 0.0453(5) 0.8686(4) 0.0544(15) Uani 1 1 d D . .
H20A H 0.3930 -0.0057 0.8468 0.065 Uiso 1 1 calc R . .
H20B H 0.3820 0.0480 0.8901 0.065 Uiso 1 1 calc R . .
C21 C 0.5069(5) 0.0602(6) 0.9052(3) 0.061(3) Uani 1 1 d D . .
O22 O 0.5530(3) 0.1263(3) 0.91776(18) 0.0333(11) Uani 1 1 d . . .
O23 O 0.5243(5) 0.0047(4) 0.9243(3) 0.091(3) Uani 1 1 d . . .
O24 O 0.3701(4) 0.1912(6) 0.8894(4) 0.0898(19) Uani 1 1 d . . .
O25 O 0.2449(4) 0.1310(6) 0.8460(4) 0.0898(19) Uani 1 1 d . . .
C26 C 0.3181(6) 0.1476(8) 0.8555(6) 0.106(5) Uani 1 1 d . . .
C27 C 0.3394(5) 0.1126(7) 0.8129(5) 0.079(4) Uani 1 1 d . . .
H27A H 0.2980 0.0623 0.7961 0.095 Uiso 1 1 calc R . .
H27B H 0.3416 0.1460 0.7860 0.095 Uiso 1 1 calc R . .
C28 C 0.5114(7) 0.2217(7) 0.6554(3) 0.065(3) Uani 1 1 d . . .
C29 C 0.5097(7) 0.2314(7) 0.6113(4) 0.070(3) Uani 1 1 d . . .
C30 C 0.5077(8) 0.2430(7) 0.5592(4) 0.079(3) Uani 1 1 d . . .
C31 C 0.4338(8) 0.2145(9) 0.5172(4) 0.100(2) Uani 1 1 d . . .
H31 H 0.3843 0.1891 0.5221 0.120 Uiso 1 1 calc R . .
C32 C 0.4389(8) 0.2265(9) 0.4681(4) 0.100(2) Uani 1 1 d . . .
H32 H 0.3920 0.2036 0.4383 0.120 Uiso 1 1 calc R . .
C33 C 0.5048(8) 0.2675(9) 0.4608(4) 0.100(2) Uani 1 1 d . . .
C34 C 0.5817(8) 0.2908(9) 0.5030(4) 0.100(2) Uani 1 1 d . . .
H34 H 0.6313 0.3118 0.4971 0.120 Uiso 1 1 calc R . .
C35 C 0.5785(8) 0.2805(9) 0.5532(4) 0.100(2) Uani 1 1 d . . .
H35 H 0.6262 0.2999 0.5828 0.120 Uiso 1 1 calc R . .
C36 C 0.5072(8) 0.2803(7) 0.4101(4) 0.086(4) Uani 1 1 d . . .
C37 C 0.5021(7) 0.2893(7) 0.3652(4) 0.073(3) Uani 1 1 d . . .
C38 C 0.4973(6) 0.3027(6) 0.3130(3) 0.058(2) Uani 1 1 d . . .
C39 C 0.5430(7) 0.3661(6) 0.3028(3) 0.068(3) Uani 1 1 d . . .
H39 H 0.5835 0.4031 0.3308 0.081 Uiso 1 1 calc R . .
C40 C 0.5324(7) 0.3792(6) 0.2510(3) 0.0587(18) Uani 1 1 d . . .
N41 N 0.4794(4) 0.3230(4) 0.2108(3) 0.0477(17) Uani 1 1 d . . .
C42 C 0.4353(5) 0.2594(5) 0.2212(3) 0.046(2) Uani 1 1 d . . .
C43 C 0.4390(6) 0.2449(6) 0.2718(3) 0.054(2) Uani 1 1 d . . .
H43 H 0.4048 0.1995 0.2780 0.065 Uiso 1 1 calc R . .
C44 C 0.3760(5) 0.2017(5) 0.1749(3) 0.048(2) Uani 1 1 d . . .
H44A H 0.3488 0.1552 0.1871 0.057 Uiso 1 1 calc R . .
H44B H 0.3344 0.2227 0.1555 0.057 Uiso 1 1 calc R . .
N45 N 0.4162(5) 0.1810(5) 0.1393(3) 0.0584(16) Uani 1 1 d . . .
C46 C 0.3536(6) 0.1509(6) 0.0867(3) 0.0584(16) Uani 1 1 d . . .
H46A H 0.3011 0.1235 0.0904 0.070 Uiso 1 1 calc R A 1
H46B H 0.3683 0.1145 0.0673 0.070 Uiso 1 1 calc R A 1
C47A C 0.3463(8) 0.2197(8) 0.0554(5) 0.047(3) Uani 0.80(2) 1 d P . 1
O48A O 0.3839(5) 0.2857(6) 0.0751(3) 0.061(3) Uani 0.80(2) 1 d P . 1
O49A O 0.2988(6) 0.2000(7) 0.0096(3) 0.077(4) Uani 0.80(2) 1 d P . 1
C47B C 0.3222(19) 0.185(2) 0.0567(13) 0.022(9) Uiso 0.20(2) 1 d P . 2
O48B O 0.3694(15) 0.2457(15) 0.0765(10) 0.028(9) Uiso 0.20(2) 1 d P . 2
O49B O 0.2622(16) 0.1527(16) 0.0194(11) 0.040(9) Uiso 0.20(2) 1 d P . 2
C50 C 0.4618(6) 0.1339(5) 0.1608(4) 0.052(2) Uani 1 1 d . . .
H50A H 0.4630 0.1005 0.1319 0.062 Uiso 1 1 calc R . .
H50B H 0.4341 0.1007 0.1814 0.062 Uiso 1 1 calc R . .
C51 C 0.5475(6) 0.1776(6) 0.1955(3) 0.052(2) Uani 1 1 d . . .
O52 O 0.5779(3) 0.2433(3) 0.1884(2) 0.0442(13) Uani 1 1 d . . .
O53 O 0.5816(5) 0.1422(5) 0.2265(3) 0.079(2) Uani 1 1 d . . .
C54 C 0.5779(7) 0.4468(5) 0.2370(4) 0.0587(18) Uani 1 1 d . . .
H54A H 0.6202 0.4792 0.2691 0.070 Uiso 1 1 calc R . .
H54B H 0.5419 0.4758 0.2219 0.070 Uiso 1 1 calc R . .
N55 N 0.6167(6) 0.4312(5) 0.1987(3) 0.069(3) Uani 1 1 d . . .
C56 C 0.6878(6) 0.4093(5) 0.2231(4) 0.057(2) Uani 1 1 d . . .
H56A H 0.6766 0.3743 0.2480 0.068 Uiso 1 1 calc R . .
H56B H 0.7338 0.4554 0.2428 0.068 Uiso 1 1 calc R . .
C57 C 0.7094(6) 0.3708(6) 0.1828(3) 0.054(2) Uani 1 1 d . . .
O58 O 0.6553(4) 0.3532(3) 0.1353(2) 0.0477(14) Uani 1 1 d . . .
O59 O 0.7732(4) 0.3566(4) 0.1960(2) 0.0638(18) Uani 1 1 d . . .
C60A C 0.6420(10) 0.4980(8) 0.1748(5) 0.064(5) Uani 0.76(2) 1 d P . 3
H60A H 0.6858 0.4954 0.1620 0.077 Uiso 0.76(2) 1 calc PR . 3
H60B H 0.6629 0.5446 0.2011 0.077 Uiso 0.76(2) 1 calc PR . 3
C61A C 0.5733(10) 0.5015(8) 0.1309(5) 0.056(5) Uani 0.76(2) 1 d P . 3
O62A O 0.5856(8) 0.5638(5) 0.1127(4) 0.081(5) Uani 0.76(2) 1 d P . 3
O63A O 0.5063(7) 0.4363(6) 0.1112(3) 0.059(4) Uani 0.76(2) 1 d P . 3
C60B C 0.598(2) 0.480(2) 0.1529(16) 0.048(11) Uiso 0.24(2) 1 d P . 4
H60C H 0.6183 0.5332 0.1706 0.058 Uiso 0.24(2) 1 calc PR . 4
H60D H 0.6351 0.4767 0.1337 0.058 Uiso 0.24(2) 1 calc PR . 4
C61B C 0.525(2) 0.4718(16) 0.1138(13) 0.034(10) Uiso 0.24(2) 1 d PD . 4
O62B O 0.5332(15) 0.5322(13) 0.0973(10) 0.047(8) Uiso 0.24(2) 1 d PD . 4
O63B O 0.4593(15) 0.4001(15) 0.0953(10) 0.049(8) Uiso 0.24(2) 1 d P . 4
Gd64 Gd 0.51597(3) 0.31107(3) 0.126269(14) 0.04152(11) Uani 1 1 d . . .
Gd65 Gd 0.87630(2) 0.21949(2) 0.893691(13) 0.03530(9) Uani 1 1 d . . .
O66 O 0.8693(3) 0.1309(3) 0.8252(2) 0.0447(14) Uani 1 1 d . . .
C67 C 0.8210(5) 0.0633(5) 0.8104(3) 0.0390(17) Uani 1 1 d . . .
O68 O 0.8190(4) 0.0198(4) 0.7726(2) 0.0571(16) Uani 1 1 d . . .
C69 C 0.7686(5) 0.0331(5) 0.8406(3) 0.049(2) Uani 1 1 d . . .
H69A H 0.7169 -0.0029 0.8164 0.059 Uiso 1 1 calc R . .
H69B H 0.7938 0.0038 0.8656 0.059 Uiso 1 1 calc R . .
N70 N 0.7515(4) 0.0905(4) 0.8696(2) 0.0371(14) Uani 1 1 d . . .
C71 C 0.7394(5) 0.0675(5) 0.9183(3) 0.044(2) Uani 1 1 d . . .
H71A H 0.7752 0.0385 0.9337 0.053 Uiso 1 1 calc R . .
H71B H 0.6831 0.0340 0.9106 0.053 Uiso 1 1 calc R . .
C72 C 0.7578(4) 0.1383(5) 0.9570(3) 0.0408(19) Uani 1 1 d . . .
O73 O 0.7953(3) 0.2029(3) 0.94793(19) 0.0409(13) Uani 1 1 d . . .
O74 O 0.7378(3) 0.1301(3) 0.99684(19) 0.0411(13) Uani 1 1 d . . .
C75 C 0.6796(4) 0.1037(5) 0.8370(3) 0.0428(19) Uani 1 1 d . . .
H75A H 0.6631 0.1364 0.8582 0.051 Uiso 1 1 calc R . .
H75B H 0.6350 0.0544 0.8233 0.051 Uiso 1 1 calc R . .
C76 C 0.6957(5) 0.1419(5) 0.7924(3) 0.044(2) Uani 1 1 d . . .
C77 C 0.6516(5) 0.1082(5) 0.7402(3) 0.049(2) Uani 1 1 d . . .
H77 H 0.6092 0.0607 0.7323 0.059 Uiso 1 1 calc R . .
C78 C 0.6697(5) 0.1437(5) 0.7009(3) 0.046(2) Uani 1 1 d . . .
C79 C 0.7314(6) 0.2125(6) 0.7166(3) 0.066(3) Uani 1 1 d . . .
H79 H 0.7461 0.2390 0.6904 0.079 Uiso 1 1 calc R . .
C80 C 0.7735(7) 0.2456(6) 0.7681(4) 0.073(3) Uani 1 1 d . . .
N81 N 0.7548(4) 0.2068(4) 0.8065(2) 0.0464(17) Uani 1 1 d . . .
C82 C 0.8259(6) 0.3224(6) 0.7877(4) 0.067(3) Uani 1 1 d . . .
H82A H 0.7982 0.3518 0.8018 0.081 Uiso 1 1 calc R . .
H82B H 0.8404 0.3467 0.7591 0.081 Uiso 1 1 calc R . .
N83 N 0.9030(4) 0.3231(4) 0.8314(3) 0.0485(18) Uani 1 1 d . . .
C84 C 0.9367(7) 0.3971(6) 0.8637(4) 0.071(3) Uani 1 1 d . . .
H84A H 0.9328 0.4373 0.8417 0.085 Uiso 1 1 calc R . .
H84B H 0.9941 0.4073 0.8839 0.085 Uiso 1 1 calc R . .
C85 C 0.8879(6) 0.3973(6) 0.9019(3) 0.054(2) Uani 1 1 d . . .
O86 O 0.8558(3) 0.3370(3) 0.91403(19) 0.0401(12) Uani 1 1 d . . .
O87 O 0.8959(5) 0.4628(4) 0.9224(2) 0.070(2) Uani 1 1 d . . .
O88 O 1.0061(3) 0.2605(4) 0.8859(2) 0.0570(17) Uani 1 1 d . . .
O89 O 1.0891(6) 0.3031(6) 0.8411(5) 0.127(4) Uani 1 1 d . . .
C90 C 1.0221(6) 0.2893(6) 0.8480(5) 0.072(3) Uani 1 1 d D . .
C91 C 0.9536(6) 0.3062(6) 0.8048(4) 0.077(4) Uani 1 1 d D . .
H91A H 0.9764 0.3503 0.7890 0.092 Uiso 1 1 calc R . .
H91B H 0.9226 0.2613 0.7770 0.092 Uiso 1 1 calc R . .
C92 C 0.6276(6) 0.1107(6) 0.6460(3) 0.061(3) Uani 1 1 d . . .
C93 C 0.5925(6) 0.0786(6) 0.6035(3) 0.054(2) Uani 1 1 d . . .
C94 C 0.5443(6) 0.0384(6) 0.5511(3) 0.065(3) Uani 1 1 d . . .
C95 C 0.4992(8) -0.0341(8) 0.5409(4) 0.105(5) Uani 1 1 d . . .
H95 H 0.4966 -0.0607 0.5694 0.126 Uiso 1 1 calc R . .
C96 C 0.5446(9) 0.0736(8) 0.5091(5) 0.115(6) Uani 1 1 d . . .
H96 H 0.5754 0.1261 0.5140 0.139 Uiso 1 1 calc R . .
Gd97 Gd 0.11139(2) 0.24585(2) 0.120515(14) 0.03886(10) Uani 1 1 d . . .
O98 O 0.1155(4) 0.3407(4) 0.1834(2) 0.0547(16) Uani 1 1 d . . .
C99 C 0.1594(6) 0.4142(5) 0.1904(3) 0.063(3) Uani 1 1 d . . .
O100 O 0.1623(5) 0.4634(4) 0.2241(3) 0.084(2) Uani 1 1 d . . .
C101 C 0.2086(6) 0.4380(6) 0.1547(4) 0.064(3) Uani 1 1 d . . .
H10A H 0.1789 0.4601 0.1263 0.077 Uiso 1 1 calc R . .
H10B H 0.2601 0.4783 0.1749 0.077 Uiso 1 1 calc R . .
N102 N 0.2255(4) 0.3763(4) 0.1320(3) 0.054(2) Uani 1 1 d . . .
C103 C 0.2303(6) 0.3835(7) 0.0771(4) 0.063(3) Uani 1 1 d . . .
H10C H 0.1937 0.4100 0.0585 0.075 Uiso 1 1 calc R . .
H10D H 0.2858 0.4134 0.0795 0.075 Uiso 1 1 calc R . .
C104 C 0.2062(6) 0.3046(8) 0.0481(4) 0.0734(19) Uani 1 1 d D . .
O105 O 0.2074(8) 0.3042(7) 0.0020(4) 0.127(4) Uani 1 1 d D . .
O106 O 0.1876(4) 0.2497(5) 0.0663(3) 0.0734(19) Uani 1 1 d . . .
C107 C 0.3050(5) 0.3752(6) 0.1675(4) 0.063(3) Uani 1 1 d . . .
H10E H 0.3436 0.4279 0.1794 0.076 Uiso 1 1 calc R . .
H10F H 0.3273 0.3456 0.1486 0.076 Uiso 1 1 calc R . .
C108 C 0.2927(5) 0.3394(5) 0.2134(3) 0.049(2) Uani 1 1 d . . .
C109 C 0.3391(6) 0.3802(6) 0.2631(4) 0.060(3) Uani 1 1 d . . .
H109 H 0.3775 0.4297 0.2687 0.072 Uiso 1 1 calc R . .
C110 C 0.3252(5) 0.3425(6) 0.3049(4) 0.063(3) Uani 1 1 d . . .
C111 C 0.2676(6) 0.2736(7) 0.2965(4) 0.069(3) Uani 1 1 d . . .
H111 H 0.2561 0.2515 0.3250 0.083 Uiso 1 1 calc R . .
C112 C 0.2241(5) 0.2344(5) 0.2442(3) 0.048(2) Uani 1 1 d . . .
N113 N 0.2380(4) 0.2702(4) 0.2033(2) 0.0395(15) Uani 1 1 d . . .
C114 C 0.1660(7) 0.1611(7) 0.2309(4) 0.077(3) Uani 1 1 d . . .
H11C H 0.1586 0.1431 0.2631 0.092 Uiso 1 1 calc R . .
H11D H 0.1860 0.1256 0.2148 0.092 Uiso 1 1 calc R . .
N115 N 0.0867(5) 0.1586(4) 0.1939(3) 0.061(2) Uani 1 1 d . . .
C116 C 0.0412(5) 0.1930(6) 0.2199(4) 0.058(2) Uani 1 1 d . . .
H11E H 0.0143 0.1556 0.2387 0.069 Uiso 1 1 calc R . .
H11F H 0.0789 0.2387 0.2456 0.069 Uiso 1 1 calc R . .
C117 C -0.0193(5) 0.2143(6) 0.1796(3) 0.052(2) Uani 1 1 d . . .
O118 O -0.0190(3) 0.2099(4) 0.1309(2) 0.0511(15) Uani 1 1 d . . .
O119 O -0.0715(4) 0.2341(4) 0.1937(3) 0.0668(19) Uani 1 1 d . . .
O120 O 0.1062(5) 0.1135(4) 0.1042(3) 0.087(3) Uani 1 1 d . . .
O121 O 0.0435(7) -0.0065(5) 0.1056(5) 0.152(6) Uani 1 1 d . . .
C122 C 0.0634(8) 0.0603(7) 0.1268(5) 0.087(3) Uani 1 1 d . . .
C123 C 0.0393(7) 0.0823(6) 0.1695(5) 0.077(3) Uani 1 1 d . . .
H12A H -0.0182 0.0779 0.1561 0.092 Uiso 1 1 calc R . .
H12B H 0.0457 0.0474 0.1955 0.092 Uiso 1 1 calc R . .
C124 C 0.3690(8) 0.3843(9) 0.3564(4) 0.098(3) Uani 1 1 d . . .
C125 C 0.4067(8) 0.4189(9) 0.4003(4) 0.098(3) Uani 1 1 d . B .
C126 C 0.4543(8) 0.4630(10) 0.4515(5) 0.107(5) Uani 1 1 d D . .
C127 C 0.5302(15) 0.4819(17) 0.4659(9) 0.107(5) Uani 0.53(2) 1 d P B 11
H127 H 0.5532 0.4699 0.4413 0.128 Uiso 0.53(2) 1 calc PR B 11
C128 C 0.5830(16) 0.5199(17) 0.5165(9) 0.107(5) Uani 0.53(2) 1 d P . 11
H128 H 0.6397 0.5322 0.5269 0.128 Uiso 0.53(2) 1 calc PR B 11
C1B7 C 0.508(2) 0.5408(19) 0.449(2) 0.149(17) Uiso 0.47(2) 1 d PD B 12
H1B7 H 0.5072 0.5634 0.4187 0.179 Uiso 0.47(2) 1 calc PR B 12
C1B8 C 0.565(3) 0.576(3) 0.5041(14) 0.21(3) Uiso 0.47(2) 1 d PD . 12
H1B8 H 0.6101 0.6211 0.5106 0.253 Uiso 0.47(2) 1 calc PR B 12
C129 C 0.5124(5) 0.2459(5) 1.0282(3) 0.0391(18) Uani 1 1 d . . .
O130 O 0.5102(3) 0.2127(3) 0.98472(18) 0.0428(10) Uani 1 1 d . . .
O131 O 0.5137(3) 0.2113(3) 1.06722(17) 0.0386(12) Uani 1 1 d . . .
O132 O 0.5162(3) 0.3168(3) 1.03520(18) 0.0428(10) Uani 1 1 d . . .
O133 O 0.5075(3) 0.3494(3) 0.9415(2) 0.0475(14) Uani 1 1 d . . .
H3AZ H 0.5101 0.3447 0.9724 0.071 Uiso 1 1 calc R . .
H3BZ H 0.4822 0.3771 0.9257 0.071 Uiso 1 1 d R . .
C134 C 0.0098(4) 0.2671(5) 0.0241(3) 0.0357(18) Uani 1 1 d . . .
O135 O 0.0531(3) 0.3214(3) 0.0634(2) 0.0387(12) Uani 1 1 d . . .
O136 O -0.0329(3) 0.2820(3) -0.01786(18) 0.0395(12) Uani 1 1 d . . .
O137 O 0.0135(4) 0.1988(4) 0.0301(2) 0.0587(18) Uani 1 1 d . . .
Na38 Na 0.63792(16) 0.17586(16) 0.00540(10) 0.0319(6) Uani 1 1 d . . .
Na39 Na 0.86473(17) 0.32655(16) 1.00293(10) 0.0353(6) Uani 1 1 d . . .
Na40 Na 0.82509(19) 0.2823(3) 0.14436(12) 0.0588(10) Uani 1 1 d . . .
Na41 Na 0.8182(4) 0.5019(4) 1.0516(3) 0.123(2) Uani 1 1 d . . .
Na42 Na 0.7411(5) 0.0226(5) 0.0473(3) 0.137(3) Uani 1 1 d . . .
Na43 Na 0.8297(5) 0.7845(5) 1.1457(4) 0.149(3) Uani 1 1 d . . .
Na44 Na 0.6684(4) 0.5813(4) 1.0577(3) 0.1257(19) Uani 1 1 d . . .
Na45 Na 0.9763(6) 0.3093(7) 0.2922(4) 0.157(4) Uani 0.825(10) 1 d P . 13
Na'5 Na 0.8912(9) 0.9435(9) 1.0531(6) 0.034(5) Uiso 0.175(10) 1 d P . 14
O146 O 0.8623(3) 0.2510(3) 0.07081(19) 0.0415(13) Uani 1 1 d . . .
H4AZ H 0.8253 0.2148 0.0491 0.062 Uiso 1 1 d R . .
H4BZ H 0.8997 0.2377 0.0899 0.062 Uiso 1 1 d R . .
O147 O 0.7111(3) 0.2804(3) 0.07361(19) 0.0409(13) Uani 1 1 d . . .
H4CZ H 0.6939 0.3028 0.0926 0.061 Uiso 1 1 d R . .
H4DZ H 0.7256 0.3076 0.0523 0.061 Uiso 1 1 d R . .
O148 O 0.6031(4) 0.1195(4) 0.0734(2) 0.0539(15) Uani 1 1 d . . .
H4EZ H 0.5637 0.1300 0.0767 0.081 Uiso 1 1 calc R . .
O149 O 0.9247(3) 0.1246(3) 0.9371(2) 0.0462(14) Uani 1 1 d . . .
H4GZ H 0.9540 0.1437 0.9681 0.069 Uiso 1 1 calc R . .
H4HZ H 0.9340 0.0877 0.9238 0.069 Uiso 1 1 d R . .
O150 O 0.9697(3) 0.4153(3) 1.0710(2) 0.0489(14) Uani 1 1 d . . .
H5AZ H 1.0014 0.4450 1.0587 0.073 Uiso 1 1 calc R . .
O151 O 0.9259(6) 0.5562(4) 1.0158(3) 0.089(3) Uani 1 1 d . . .
H5CZ H 0.9171 0.5284 0.9878 0.134 Uiso 1 1 calc R . .
O152 O 0.9142(5) 0.4045(5) 0.1560(3) 0.090(3) Uani 1 1 d . . .
H5DZ H 0.8888 0.4355 0.1515 0.134 Uiso 1 1 calc R . .
H5EZ H 0.9304 0.4078 0.1304 0.134 Uiso 1 1 d R . .
O153 O 0.6671(6) 0.4550(7) 1.0560(5) 0.1257(19) Uani 1 1 d . . .
O154 O 0.7480(5) 0.1654(6) 0.1559(4) 0.101(3) Uani 1 1 d . . .
H5GZ H 0.7037 0.1496 0.1313 0.152 Uiso 1 1 calc R . .
O155 O 0.6011(6) -0.0481(5) 0.0121(4) 0.106(3) Uiso 1 1 d . . .
H5IZ H 0.5798 -0.0309 -0.0144 0.159 Uiso 1 1 calc R . .
O157 O 1.0348(6) 0.4439(5) 0.2545(4) 0.108(3) Uiso 1 1 d . . .
H5MZ H 1.0751 0.4435 0.2466 0.163 Uiso 1 1 calc R . 13
H5NZ H 0.9990 0.4321 0.2249 0.163 Uiso 1 1 d R . .
O158 O 0.7932(6) 0.6093(6) 1.0661(5) 0.124(4) Uiso 1 1 d . . .
H5OZ H 0.8281 0.6349 1.0937 0.186 Uiso 1 1 d R . .
H5PZ H 0.7916 0.6374 1.0432 0.186 Uiso 1 1 d R . .
O159 O 0.6931(7) 0.7183(7) 1.0627(5) 0.136(4) Uiso 1 1 d . . .
H5QZ H 0.6739 0.7454 1.0768 0.203 Uiso 1 1 d R . .
O160 O 0.7379(8) 0.6976(8) 1.1820(6) 0.156(5) Uiso 1 1 d . . .
O161 O 0.7721(8) -0.0806(8) 0.0626(6) 0.154(5) Uiso 1 1 d . . .
H6BZ H 0.7667 -0.0955 0.0902 0.231 Uiso 1 1 d R . .
H6CZ H 0.7498 -0.1184 0.0386 0.231 Uiso 1 1 d R . .
O162 O 0.8228(7) 0.4945(7) 1.1403(5) 0.133(4) Uiso 1 1 d . . .
O163 O 0.8889(5) 0.0676(5) 0.0487(4) 0.090(2) Uiso 1 1 d . . .
H6EZ H 0.9240 0.1044 0.0435 0.135 Uiso 1 1 d R . .
O165 O 0.8380(6) 0.3291(6) 0.2950(4) 0.117(3) Uiso 1 1 d . . .
H6HZ H 0.8128 0.3375 0.2658 0.175 Uiso 1 1 calc R . 13
O170 O 0.8266(9) 0.0673(9) 0.1425(6) 0.180(6) Uiso 1 1 d . . .
H7AZ H 0.8117 0.0998 0.1554 0.269 Uiso 1 1 calc R . .
O173 O 0.6134(9) 0.5821(9) 0.9748(7) 0.179(6) Uiso 1 1 d . . .
O175 O 1.0479(11) 0.2646(11) 0.3796(8) 0.229(8) Uiso 1 1 d . . .
O188 O 0.9411(16) 0.8825(16) 1.1839(12) 0.160(10) Uiso 0.50 1 d P . .
H8DZ H 0.9652 0.8747 1.2136 0.240 Uiso 0.50 1 calc PR . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Gd Gd -0.1653 3.9035 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Na Na 0.0362 0.0249 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
O9 Gd1 O2 127.94(18) . .
O9 Gd1 O24 74.5(3) . .
O2 Gd1 O24 149.5(3) . .
O9 Gd1 O22 143.55(18) . .
O2 Gd1 O22 70.39(18) . .
O24 Gd1 O22 104.6(3) . .
O9 Gd1 O133 75.43(19) . .
O2 Gd1 O133 84.57(19) . .
O24 Gd1 O133 82.0(3) . .
O22 Gd1 O133 141.01(18) . .
O9 Gd1 O130 139.15(18) . .
O2 Gd1 O130 74.03(18) . .
O24 Gd1 O130 75.9(3) . .
O22 Gd1 O130 71.50(17) . .
O133 Gd1 O130 73.15(19) . .
O9 Gd1 N17 68.2(2) . .
O2 Gd1 N17 94.1(2) . .
O24 Gd1 N17 115.2(3) . .
O22 Gd1 N17 80.4(2) . .
O133 Gd1 N17 132.3(2) . .
O130 Gd1 N17 151.7(2) . .
O9 Gd1 N19 85.4(2) . .
O2 Gd1 N19 131.0(2) . .
O24 Gd1 N19 62.8(3) . .
O22 Gd1 N19 63.6(2) . .
O133 Gd1 N19 143.4(2) . .
O130 Gd1 N19 105.2(2) . .
N17 Gd1 N19 63.1(2) . .
O9 Gd1 N6 65.63(19) . .
O2 Gd1 N6 62.60(18) . .
O24 Gd1 N6 136.7(3) . .
O22 Gd1 N6 117.26(19) . .
O133 Gd1 N6 72.7(2) . .
O130 Gd1 N6 126.3(2) . .
N17 Gd1 N6 64.8(2) . .
N19 Gd1 N6 126.8(2) . .
O9 Gd1 Na38 169.77(14) . 1_556
O2 Gd1 Na38 41.83(13) . 1_556
O24 Gd1 Na38 114.9(2) . 1_556
O22 Gd1 Na38 40.81(12) . 1_556
O133 Gd1 Na38 101.13(14) . 1_556
O130 Gd1 Na38 45.53(14) . 1_556
N17 Gd1 Na38 109.18(17) . 1_556
N19 Gd1 Na38 102.41(17) . 1_556
N6 Gd1 Na38 104.19(14) . 1_556
C3 O2 Gd1 125.3(5) . .
C3 O2 Na38 132.6(5) . 1_556
Gd1 O2 Na38 96.86(19) . 1_556
O4 C3 O2 123.6(7) . .
O4 C3 C5 118.4(7) . .
O2 C3 C5 117.9(7) . .
O2 C3 Na39 103.1(5) . .
C5 C3 Na39 124.8(5) . .
C3 O4 Na39 116.1(5) . .
C3 O4 Na41 127.1(5) . .
Na39 O4 Na41 108.4(3) . .
C3 C5 N6 108.8(7) . .
C3 C5 H5A 109.9 . .
N6 C5 H5A 109.9 . .
C3 C5 H5B 109.9 . .
N6 C5 H5B 109.9 . .
H5A C5 H5B 108.3 . .
C7 N6 C11 110.4(6) . .
C7 N6 C5 109.9(7) . .
C11 N6 C5 106.4(6) . .
C7 N6 Gd1 112.3(4) . .
C11 N6 Gd1 108.6(5) . .
C5 N6 Gd1 109.1(4) . .
N6 C7 C8 109.6(7) . .
N6 C7 H7A 109.8 . .
C8 C7 H7A 109.8 . .
N6 C7 H7B 109.8 . .
C8 C7 H7B 109.8 . .
H7A C7 H7B 108.2 . .
O10 C8 O9 125.9(7) . .
O10 C8 C7 115.6(7) . .
O9 C8 C7 118.4(7) . .
C8 O9 Gd1 126.9(5) . .
N6 C11 C12 107.5(6) . .
N6 C11 H11A 110.2 . .
C12 C11 H11A 110.2 . .
N6 C11 H11B 110.2 . .
C12 C11 H11B 110.2 . .
H11A C11 H11B 108.5 . .
N17 C12 C13 122.6(9) . .
N17 C12 C11 113.6(6) . .
C13 C12 C11 123.7(8) . .
C14 C13 C12 119.5(9) . .
C14 C13 H13 120.2 . .
C12 C13 H13 120.2 . .
C15 C14 C13 117.2(8) . .
C15 C14 C28 123.9(10) . .
C13 C14 C28 118.9(10) . .
C14 C15 C16 121.7(10) . .
C14 C15 H15 119.1 . .
C16 C15 H15 119.1 . .
N17 C16 C15 122.1(10) . .
N17 C16 C18 109.8(9) . .
C15 C16 C18 126.4(11) . .
C12 N17 C16 116.7(7) . .
C12 N17 Gd1 117.0(5) . .
C16 N17 Gd1 117.4(6) . .
C16 C18 N19 110.7(11) . .
C16 C18 H18A 109.5 . .
N19 C18 H18A 109.5 . .
C16 C18 H18B 109.5 . .
N19 C18 H18B 109.5 . .
H18A C18 H18B 108.1 . .
C20 N19 C27 112.6(8) . .
C20 N19 C18 108.2(9) . .
C27 N19 C18 110.2(9) . .
C20 N19 Gd1 107.3(6) . .
C27 N19 Gd1 105.1(7) . .
C18 N19 Gd1 113.5(6) . .
N19 C20 C21 106.3(7) . .
N19 C20 H20A 110.5 . .
C21 C20 H20A 110.5 . .
N19 C20 H20B 110.5 . .
C21 C20 H20B 110.5 . .
H20A C20 H20B 108.7 . .
O22 C21 O23 123.5(8) . .
O22 C21 C20 117.8(8) . .
O23 C21 C20 118.1(8) . .
C21 O22 Na38 121.4(5) . 1_556
C21 O22 Gd1 123.4(6) . .
Na38 O22 Gd1 97.6(2) 1_556 .
C26 O24 Gd1 126.6(9) . .
C26 O25 Na43 128.2(10) . 2_667
O24 C26 O25 128.3(15) . .
O24 C26 C27 117.7(10) . .
O25 C26 C27 113.5(11) . .
N19 C27 C26 108.3(10) . .
N19 C27 H27A 110.0 . .
C26 C27 H27A 110.0 . .
N19 C27 H27B 110.0 . .
C26 C27 H27B 110.0 . .
H27A C27 H27B 108.4 . .
C29 C28 C14 175.4(13) . .
C28 C29 C30 179.8(16) . .
C35 C30 C31 123.3(10) . .
C35 C30 C29 117.0(12) . .
C31 C30 C29 119.7(11) . .
C32 C31 C30 115.2(12) . .
C32 C31 H31 122.4 . .
C30 C31 H31 122.4 . .
C33 C32 C31 123.6(13) . .
C33 C32 H32 118.2 . .
C31 C32 H32 118.2 . .
C32 C33 C34 120.6(10) . .
C32 C33 C36 122.0(13) . .
C34 C33 C36 116.5(12) . .
C33 C34 C35 116.1(12) . .
C33 C34 H34 122.0 . .
C35 C34 H34 122.0 . .
C30 C35 C34 120.1(13) . .
C30 C35 H35 120.0 . .
C34 C35 H35 120.0 . .
C37 C36 C33 174.4(16) . .
C36 C37 C38 178.1(15) . .
C39 C38 C43 120.6(8) . .
C39 C38 C37 122.9(11) . .
C43 C38 C37 116.5(10) . .
C38 C39 C40 121.0(10) . .
C38 C39 H39 119.5 . .
C40 C39 H39 119.5 . .
N41 C40 C39 119.2(9) . .
N41 C40 C54 116.5(8) . .
C39 C40 C54 124.2(10) . .
C42 N41 C40 119.4(7) . .
C42 N41 Gd64 116.4(5) . .
C40 N41 Gd64 117.3(5) . .
N41 C42 C43 124.2(9) . .
N41 C42 C44 116.1(7) . .
C43 C42 C44 119.7(8) . .
C38 C43 C42 115.4(9) . .
C38 C43 H43 122.3 . .
C42 C43 H43 122.3 . .
N45 C44 C42 111.4(7) . .
N45 C44 H44A 109.3 . .
C42 C44 H44A 109.3 . .
N45 C44 H44B 109.3 . .
C42 C44 H44B 109.3 . .
H44A C44 H44B 108.0 . .
C50 N45 C44 111.6(7) . .
C50 N45 C46 117.0(8) . .
C44 N45 C46 107.3(7) . .
C50 N45 Gd64 108.8(6) . .
C44 N45 Gd64 107.6(6) . .
C46 N45 Gd64 104.0(6) . .
C47B C46 N45 129(2) . .
N45 C46 C47A 109.7(10) . .
N45 C46 O48B 87.7(13) . .
C47B C46 H46A 89.7 . .
N45 C46 H46A 109.7 . .
C47A C46 H46A 109.7 . .
O48B C46 H46A 115.9 . .
C47B C46 H46B 107.9 . .
N45 C46 H46B 109.7 . .
C47A C46 H46B 109.7 . .
O48B C46 H46B 123.0 . .
H46A C46 H46B 108.2 . .
O49A C47A O48A 123.2(13) . .
O49A C47A C46 114.7(15) . .
O48A C47A C46 122.2(13) . .
O49A C47A Gd64 145.8(10) . .
C46 C47A Gd64 87.7(7) . .
C47A O48A Gd64 116.0(9) . .
C46 C47B O49B 122(4) . .
C46 C47B O48B 96(3) . .
O49B C47B O48B 142(4) . .
C47B O48B Gd64 141(3) . .
C46 O48B Gd64 103.3(16) . .
N45 C50 C51 114.2(8) . .
N45 C50 H50A 108.7 . .
C51 C50 H50A 108.7 . .
N45 C50 H50B 108.7 . .
C51 C50 H50B 108.7 . .
H50A C50 H50B 107.6 . .
O53 C51 O52 126.3(10) . .
O53 C51 C50 116.3(9) . .
O52 C51 C50 117.3(8) . .
C51 O52 Gd64 127.2(6) . .
C40 C54 N55 113.5(8) . .
C40 C54 H54A 108.9 . .
N55 C54 H54A 108.9 . .
C40 C54 H54B 108.9 . .
N55 C54 H54B 108.9 . .
H54A C54 H54B 107.7 . .
C60A N55 C56 107.7(11) . .
C60A N55 C54 111.0(8) . .
C56 N55 C54 112.4(8) . .
C56 N55 C60B 130.9(19) . .
C54 N55 C60B 109(2) . .
C60A N55 Gd64 110.9(8) . .
C56 N55 Gd64 104.5(5) . .
C54 N55 Gd64 110.1(7) . .
C60B N55 Gd64 84.7(19) . .
N55 C56 C57 111.0(8) . .
N55 C56 H56A 109.4 . .
C57 C56 H56A 109.4 . .
N55 C56 H56B 109.4 . .
C57 C56 H56B 109.4 . .
H56A C56 H56B 108.0 . .
O59 C57 O58 125.9(9) . .
O59 C57 C56 119.3(9) . .
O58 C57 C56 114.9(9) . .
C57 O58 Gd64 118.5(5) . .
C57 O59 Na40 129.6(6) . .
N55 C60A C61A 110.0(15) . .
N55 C60A H60A 109.7 . .
C61A C60A H60A 109.7 . .
N55 C60A H60B 109.7 . .
C61A C60A H60B 109.7 . .
H60A C60A H60B 108.2 . .
O62A C61A O63A 126.9(18) . .
O62A C61A C60A 114.8(17) . .
O63A C61A C60A 118.1(13) . .
C61A O62A Na44 116.0(9) . 1_554
C61A O63A Gd64 120.7(10) . .
C61B C60B N55 130(4) . .
C61B C60B Gd64 77(2) . .
N55 C60B Gd64 63.2(17) . .
C61B C60B H60C 106.0 . .
N55 C60B H60C 104.9 . .
Gd64 C60B H60C 161.9 . .
C61B C60B H60D 104.9 . .
N55 C60B H60D 104.9 . .
Gd64 C60B H60D 90.9 . .
H60C C60B H60D 105.8 . .
O62B C61B O63B 130(5) . .
O62B C61B C60B 107(5) . .
O63B C61B C60B 123(3) . .
O62B C61B Gd64 163(4) . .
O63B C61B Gd64 47.8(17) . .
C60B C61B Gd64 76(3) . .
C61B O62B Na44 114(3) . 1_554
C61B O63B Gd64 104(2) . .
O48A Gd64 O63B 54.4(10) . .
O48A Gd64 O52 131.4(4) . .
O63B Gd64 O52 158.3(8) . .
O48A Gd64 O131 85.4(4) . 1_554
O63B Gd64 O131 120.1(9) . 1_554
O52 Gd64 O131 81.43(18) . 1_554
O48A Gd64 O58 149.3(3) . .
O63B Gd64 O58 110.4(9) . .
O52 Gd64 O58 73.5(2) . .
O131 Gd64 O58 81.15(19) 1_554 .
O48A Gd64 O63A 75.7(5) . .
O63B Gd64 O63A 21.3(8) . .
O52 Gd64 O63A 144.2(3) . .
O131 Gd64 O63A 129.3(2) 1_554 .
O58 Gd64 O63A 91.9(4) . .
O48A Gd64 O132 74.1(3) . 1_554
O63B Gd64 O132 72.4(8) . 1_554
O52 Gd64 O132 128.18(18) . 1_554
O131 Gd64 O132 53.26(18) 1_554 1_554
O58 Gd64 O132 75.72(19) . 1_554
O63A Gd64 O132 76.3(2) . 1_554
O48A Gd64 O48B 16.5(8) . .
O63B Gd64 O48B 70.8(13) . .
O52 Gd64 O48B 115.7(10) . .
O131 Gd64 O48B 76.2(9) 1_554 .
O58 Gd64 O48B 153.5(8) . .
O63A Gd64 O48B 92.1(10) . .
O132 Gd64 O48B 79.8(9) 1_554 .
O48A Gd64 N41 90.8(3) . .
O63B Gd64 N41 90.7(8) . .
O52 Gd64 N41 69.5(2) . .
O131 Gd64 N41 137.0(2) 1_554 .
O58 Gd64 N41 117.7(2) . .
O63A Gd64 N41 90.4(3) . .
O132 Gd64 N41 161.9(2) 1_554 .
O48B Gd64 N41 88.5(8) . .
O48A Gd64 N55 130.2(4) . .
O63B Gd64 N55 81.5(10) . .
O52 Gd64 N55 82.2(2) . .
O131 Gd64 N55 142.1(2) 1_554 .
O58 Gd64 N55 61.4(2) . .
O63A Gd64 N55 62.3(4) . .
O132 Gd64 N55 117.0(2) 1_554 .
O48B Gd64 N55 141.6(9) . .
N41 Gd64 N55 65.3(2) . .
O48A Gd64 N45 66.9(4) . .
O63B Gd64 N45 116.3(9) . .
O52 Gd64 N45 64.6(2) . .
O131 Gd64 N45 73.1(2) 1_554 .
O58 Gd64 N45 133.1(2) . .
O63A Gd64 N45 134.7(4) . .
O132 Gd64 N45 114.9(2) 1_554 .
O48B Gd64 N45 51.4(10) . .
N41 Gd64 N45 66.1(2) . .
N55 Gd64 N45 128.1(2) . .
O48A Gd64 C129 78.0(3) . 1_554
O63B Gd64 C129 96.5(8) . 1_554
O52 Gd64 C129 105.1(2) . 1_554
O131 Gd64 C129 26.2(2) 1_554 1_554
O58 Gd64 C129 77.8(2) . 1_554
O63A Gd64 C129 103.3(3) . 1_554
O132 Gd64 C129 27.1(2) 1_554 1_554
O48B Gd64 C129 75.8(8) . 1_554
N41 Gd64 C129 159.3(2) . 1_554
N55 Gd64 C129 134.9(2) . 1_554
N45 Gd64 C129 93.3(2) . 1_554
O66 Gd65 O73 128.62(19) . .
O66 Gd65 O88 74.7(2) . .
O73 Gd65 O88 148.96(19) . .
O66 Gd65 O86 144.59(19) . .
O73 Gd65 O86 70.1(2) . .
O88 Gd65 O86 103.2(2) . .
O66 Gd65 O149 75.3(2) . .
O73 Gd65 O149 84.7(2) . .
O88 Gd65 O149 82.5(2) . .
O86 Gd65 O149 140.04(18) . .
O66 Gd65 O136 138.68(19) . 1_656
O73 Gd65 O136 73.45(17) . 1_656
O88 Gd65 O136 75.77(19) . 1_656
O86 Gd65 O136 70.66(18) . 1_656
O149 Gd65 O136 72.68(19) . 1_656
O66 Gd65 N70 65.74(18) . .
O73 Gd65 N70 63.19(19) . .
O88 Gd65 N70 137.3(2) . .
O86 Gd65 N70 118.27(19) . .
O149 Gd65 N70 72.7(2) . .
O136 Gd65 N70 125.92(19) 1_656 .
O66 Gd65 N81 67.9(2) . .
O73 Gd65 N81 94.3(2) . .
O88 Gd65 N81 115.3(2) . .
O86 Gd65 N81 82.2(2) . .
O149 Gd65 N81 131.6(2) . .
O136 Gd65 N81 152.6(2) 1_656 .
N70 Gd65 N81 64.2(2) . .
O66 Gd65 N83 85.4(2) . .
O73 Gd65 N83 130.3(2) . .
O88 Gd65 N83 63.0(3) . .
O86 Gd65 N83 63.7(2) . .
O149 Gd65 N83 144.0(2) . .
O136 Gd65 N83 106.0(2) 1_656 .
N70 Gd65 N83 126.2(2) . .
N81 Gd65 N83 63.1(2) . .
O66 Gd65 Na39 170.34(15) . .
O73 Gd65 Na39 41.98(14) . .
O88 Gd65 Na39 113.02(15) . .
O86 Gd65 Na39 41.51(13) . .
O149 Gd65 Na39 99.48(14) . .
O136 Gd65 Na39 43.62(14) 1_656 .
N70 Gd65 Na39 105.10(14) . .
N81 Gd65 Na39 111.67(16) . .
N83 Gd65 Na39 103.14(16) . .
C67 O66 Gd65 126.0(5) . .
O68 C67 O66 122.7(8) . .
O68 C67 C69 119.0(8) . .
O66 C67 C69 118.2(7) . .
N70 C69 C67 115.2(8) . .
N70 C69 H69A 108.5 . .
C67 C69 H69A 108.5 . .
N70 C69 H69B 108.5 . .
C67 C69 H69B 108.5 . .
H69A C69 H69B 107.5 . .
C69 N70 C75 109.5(6) . .
C69 N70 C71 112.4(7) . .
C75 N70 C71 108.9(6) . .
C69 N70 Gd65 108.0(5) . .
C75 N70 Gd65 109.2(5) . .
C71 N70 Gd65 108.8(4) . .
N70 C71 C72 109.7(7) . .
N70 C71 H71A 109.7 . .
C72 C71 H71A 109.7 . .
N70 C71 H71B 109.7 . .
C72 C71 H71B 109.7 . .
H71A C71 H71B 108.2 . .
O73 C72 O74 123.2(8) . .
O73 C72 C71 117.9(7) . .
O74 C72 C71 118.9(8) . .
C72 O73 Gd65 124.1(5) . .
C72 O73 Na39 131.7(5) . .
Gd65 O73 Na39 96.9(2) . .
C72 O74 Na38 119.1(5) . 1_556
C72 O74 Na42 125.6(6) . 1_556
Na38 O74 Na42 109.0(3) 1_556 1_556
N70 C75 C76 110.2(6) . .
N70 C75 H75A 109.6 . .
C76 C75 H75A 109.6 . .
N70 C75 H75B 109.6 . .
C76 C75 H75B 109.6 . .
H75A C75 H75B 108.1 . .
N81 C76 C77 123.8(9) . .
N81 C76 C75 114.4(7) . .
C77 C76 C75 121.9(8) . .
C78 C77 C76 120.0(8) . .
C78 C77 H77 120.0 . .
C76 C77 H77 120.0 . .
C77 C78 C79 115.3(7) . .
C77 C78 C92 122.6(9) . .
C79 C78 C92 122.1(9) . .
C78 C79 C80 124.1(10) . .
C78 C79 H79 117.9 . .
C80 C79 H79 117.9 . .
N81 C80 C79 118.6(9) . .
N81 C80 C82 112.8(8) . .
C79 C80 C82 127.6(10) . .
C76 N81 C80 118.1(7) . .
C76 N81 Gd65 116.4(6) . .
C80 N81 Gd65 117.0(6) . .
C80 C82 N83 109.6(10) . .
C80 C82 H82A 109.8 . .
N83 C82 H82A 109.8 . .
C80 C82 H82B 109.7 . .
N83 C82 H82B 109.8 . .
H82A C82 H82B 108.2 . .
C84 N83 C91 114.6(8) . .
C84 N83 C82 107.2(8) . .
C91 N83 C82 105.6(8) . .
C84 N83 Gd65 106.9(6) . .
C91 N83 Gd65 108.7(7) . .
C82 N83 Gd65 114.0(6) . .
N83 C84 C85 108.1(8) . .
N83 C84 H84A 110.1 . .
C85 C84 H84A 110.1 . .
N83 C84 H84B 110.1 . .
C85 C84 H84B 110.1 . .
H84A C84 H84B 108.4 . .
O86 C85 O87 126.1(9) . .
O86 C85 C84 118.5(9) . .
O87 C85 C84 114.7(9) . .
C85 O86 Gd65 124.4(6) . .
C85 O86 Na39 121.2(5) . .
Gd65 O86 Na39 97.1(2) . .
C90 O88 Gd65 124.9(7) . .
C90 O89 Na43 124.7(9) . 2_767
O88 C90 O89 124.7(12) . .
O88 C90 C91 118.4(9) . .
O89 C90 C91 116.9(11) . .
N83 C91 C90 105.4(8) . .
N83 C91 H91A 110.7 . .
C90 C91 H91A 110.7 . .
N83 C91 H91B 110.7 . .
C90 C91 H91B 110.7 . .
H91A C91 H91B 108.8 . .
C93 C92 C78 174.3(12) . .
C92 C93 C94 176.6(13) . .
C95 C94 C96 115.6(9) . .
C95 C94 C93 123.2(10) . .
C96 C94 C93 121.2(10) . .
C94 C95 C96 123.5(12) . 2_656
C94 C95 H95 118.3 . .
C96 C95 H95 118.3 2_656 .
C94 C96 C95 120.9(12) . 2_656
C94 C96 H96 119.6 . .
C95 C96 H96 119.6 2_656 .
O106 Gd97 O98 131.4(3) . .
O106 Gd97 O135 83.8(2) . .
O98 Gd97 O135 80.8(2) . .
O106 Gd97 O118 148.9(2) . .
O98 Gd97 O118 72.4(2) . .
O135 Gd97 O118 80.97(18) . .
O106 Gd97 O120 76.2(3) . .
O98 Gd97 O120 144.1(3) . .
O135 Gd97 O120 130.6(2) . .
O118 Gd97 O120 93.6(3) . .
O106 Gd97 O137 73.8(2) . .
O98 Gd97 O137 127.76(19) . .
O135 Gd97 O137 54.18(19) . .
O118 Gd97 O137 75.3(2) . .
O120 Gd97 O137 76.8(2) . .
O106 Gd97 N113 91.1(2) . .
O98 Gd97 N113 70.6(2) . .
O135 Gd97 N113 136.64(19) . .
O118 Gd97 N113 118.3(2) . .
O120 Gd97 N113 89.1(2) . .
O137 Gd97 N113 161.3(2) . .
O106 Gd97 N102 64.5(3) . .
O98 Gd97 N102 66.9(3) . .
O135 Gd97 N102 73.04(19) . .
O118 Gd97 N102 134.3(2) . .
O120 Gd97 N102 131.9(3) . .
O137 Gd97 N102 114.9(2) . .
N113 Gd97 N102 66.1(2) . .
O106 Gd97 N115 132.2(3) . .
O98 Gd97 N115 81.3(2) . .
O135 Gd97 N115 142.0(2) . .
O118 Gd97 N115 61.7(2) . .
O120 Gd97 N115 63.2(3) . .
O137 Gd97 N115 116.8(2) . .
N113 Gd97 N115 65.3(2) . .
N102 Gd97 N115 128.3(2) . .
O106 Gd97 C134 77.4(2) . .
O98 Gd97 C134 104.6(2) . .
O135 Gd97 C134 26.8(2) . .
O118 Gd97 C134 76.9(2) . .
O120 Gd97 C134 103.9(2) . .
O137 Gd97 C134 27.4(2) . .
N113 Gd97 C134 159.8(2) . .
N102 Gd97 C134 93.8(2) . .
N115 Gd97 C134 134.4(2) . .
C99 O98 Gd97 124.1(6) . .
O100 C99 O98 123.6(12) . .
O100 C99 C101 119.0(11) . .
O98 C99 C101 117.3(8) . .
N102 C101 C99 113.6(9) . .
N102 C101 H10A 108.8 . .
C99 C101 H10A 108.8 . .
N102 C101 H10B 108.8 . .
C99 C101 H10B 108.8 . .
H10A C101 H10B 107.7 . .
C101 N102 C107 107.4(8) . .
C101 N102 C103 113.8(8) . .
C107 N102 C103 108.6(8) . .
C101 N102 Gd97 111.0(6) . .
C107 N102 Gd97 111.0(5) . .
C103 N102 Gd97 105.0(6) . .
C104 C103 N102 108.0(9) . .
C104 C103 H10C 110.1 . .
N102 C103 H10C 110.1 . .
C104 C103 H10D 110.1 . .
N102 C103 H10D 110.1 . .
H10C C103 H10D 108.4 . .
O106 C104 O105 123.9(14) . .
O106 C104 C103 123.1(10) . .
O105 C104 C103 113.0(13) . .
C104 O106 Gd97 118.7(8) . .
N102 C107 C108 108.7(8) . .
N102 C107 H10E 109.9 . .
C108 C107 H10E 109.9 . .
N102 C107 H10F 109.9 . .
C108 C107 H10F 109.9 . .
H10E C107 H10F 108.3 . .
N113 C108 C109 124.9(10) . .
N113 C108 C107 116.9(8) . .
C109 C108 C107 118.2(9) . .
C108 C109 C110 115.3(9) . .
C108 C109 H109 122.4 . .
C110 C109 H109 122.4 . .
C111 C110 C109 121.9(9) . .
C111 C110 C124 121.2(12) . .
C109 C110 C124 116.7(11) . .
C110 C111 C112 119.3(10) . .
C110 C111 H111 120.4 . .
C112 C111 H111 120.4 . .
N113 C112 C111 119.1(9) . .
N113 C112 C114 116.6(9) . .
C111 C112 C114 124.4(10) . .
C108 N113 C112 119.4(7) . .
C108 N113 Gd97 115.1(5) . .
C112 N113 Gd97 115.4(5) . .
C112 C114 N115 113.1(9) . .
C112 C114 H11C 109.0 . .
N115 C114 H11C 109.0 . .
C112 C114 H11D 109.0 . .
N115 C114 H11D 109.0 . .
H11C C114 H11D 107.8 . .
C123 N115 C116 110.2(9) . .
C123 N115 C114 110.3(8) . .
C116 N115 C114 112.6(8) . .
C123 N115 Gd97 109.6(7) . .
C116 N115 Gd97 104.9(5) . .
C114 N115 Gd97 109.1(7) . .
C117 C116 N115 108.9(8) . .
C117 C116 H11E 109.9 . .
N115 C116 H11E 109.9 . .
C117 C116 H11F 109.9 . .
N115 C116 H11F 109.9 . .
H11E C116 H11F 108.3 . .
O119 C117 O118 123.4(8) . .
O119 C117 C116 117.3(8) . .
O118 C117 C116 119.3(9) . .
C117 O118 Gd97 116.4(5) . .
C117 O119 Na40 129.5(6) . 1_455
C117 O119 Na45 117.7(6) . 1_455
Na40 O119 Na45 103.8(4) 1_455 1_455
C122 O120 Gd97 118.3(8) . .
C122 O121 Na'5 109.7(9) . 1_444
O121 C122 O120 114.3(15) . .
O121 C122 C123 123.9(16) . .
O120 C122 C123 121.7(10) . .
N115 C123 C122 110.6(12) . .
N115 C123 H12A 109.5 . .
C122 C123 H12A 109.5 . .
N115 C123 H12B 109.5 . .
C122 C123 H12B 109.5 . .
H12A C123 H12B 108.1 . .
C125 C124 C110 179(2) . .
C124 C125 C126 177(2) . .
C128 C126 C127 121.6(16) 2_666 .
C128 C126 C125 119.4(16) 2_666 .
C127 C126 C125 119.0(17) . .
C128 C126 C1B7 102(3) 2_666 .
C127 C126 C1B7 57(2) . .
C125 C126 C1B7 113(3) . .
C128 C126 C1B8 50(2) 2_666 2_666
C127 C126 C1B8 102(3) . 2_666
C125 C126 C1B8 114(3) . 2_666
C1B7 C126 C1B8 134(2) . 2_666
C126 C127 C128 124(3) . .
C126 C127 H127 117.9 . .
C128 C127 H127 117.9 . .
C126 C128 C127 114(2) 2_666 .
C126 C128 H128 122.9 2_666 .
C127 C128 H128 122.9 . .
C1B8 C1B7 C126 108(3) . .
C1B8 C1B7 H1B7 126.1 . .
C126 C1B7 H1B7 126.1 . .
C1B7 C1B8 C126 117(4) . 2_666
C1B7 C1B8 H1B8 121.4 . .
C126 C1B8 H1B8 121.4 2_666 .
O131 C129 O130 121.2(8) . .
O131 C129 O132 116.4(7) . .
O130 C129 O132 122.4(7) . .
O131 C129 Gd64 55.5(4) . 1_556
O130 C129 Gd64 176.7(6) . 1_556
O132 C129 Gd64 60.9(4) . 1_556
C129 O130 Gd1 142.2(5) . .
C129 O130 Na38 106.5(5) . 1_556
Gd1 O130 Na38 92.48(18) . 1_556
C129 O131 Gd64 98.3(5) . 1_556
C129 O132 Gd64 92.0(4) . 1_556
Gd1 O133 H3AZ 109.5 . .
Gd1 O133 H3BZ 123.2 . .
H3AZ O133 H3BZ 119.3 . .
O136 C134 O135 119.8(8) . .
O136 C134 O137 123.4(6) . .
O135 C134 O137 116.9(6) . .
O136 C134 Gd97 175.7(6) . .
O135 C134 Gd97 56.1(4) . .
O137 C134 Gd97 60.8(4) . .
O136 C134 Na39 49.5(3) . 1_454
O135 C134 Na39 91.5(4) . 1_454
O137 C134 Na39 130.3(5) . 1_454
Gd97 C134 Na39 129.3(3) . 1_454
C134 O135 Gd97 97.1(5) . .
C134 O136 Gd65 140.7(5) . 1_454
C134 O136 Na39 107.6(4) . 1_454
Gd65 O136 Na39 93.38(18) 1_454 1_454
C134 O137 Gd97 91.9(4) . .
O74 Na38 O148 104.2(2) 1_554 .
O74 Na38 O147 102.4(2) 1_554 .
O148 Na38 O147 81.2(2) . .
O74 Na38 O22 93.44(19) 1_554 1_554
O148 Na38 O22 119.6(2) . 1_554
O147 Na38 O22 150.0(2) . 1_554
O74 Na38 O2 101.7(2) 1_554 1_554
O148 Na38 O2 151.2(2) . 1_554
O147 Na38 O2 81.3(2) . 1_554
O22 Na38 O2 70.57(18) 1_554 1_554
O74 Na38 O130 162.5(2) 1_554 1_554
O148 Na38 O130 87.3(2) . 1_554
O147 Na38 O130 92.2(2) . 1_554
O22 Na38 O130 69.28(18) 1_554 1_554
O2 Na38 O130 70.79(19) 1_554 1_554
O74 Na38 Gd1 122.34(15) 1_554 1_554
O148 Na38 Gd1 127.02(18) . 1_554
O147 Na38 Gd1 109.20(17) . 1_554
O22 Na38 Gd1 41.54(13) 1_554 1_554
O2 Na38 Gd1 41.32(12) 1_554 1_554
O130 Na38 Gd1 41.99(11) 1_554 1_554
O74 Na38 Na42 36.91(18) 1_554 .
O148 Na38 Na42 68.2(2) . .
O147 Na38 Na42 103.7(2) . .
O22 Na38 Na42 104.2(2) 1_554 .
O2 Na38 Na42 138.57(19) 1_554 .
O130 Na38 Na42 147.8(2) 1_554 .
Gd1 Na38 Na42 145.30(15) 1_554 .
O74 Na38 Na40 78.54(16) 1_554 .
O148 Na38 Na40 72.13(17) . .
O147 Na38 Na40 28.57(15) . .
O22 Na38 Na40 167.42(16) 1_554 .
O2 Na38 Na40 101.32(15) 1_554 .
O130 Na38 Na40 117.98(15) 1_554 .
Gd1 Na38 Na40 136.49(10) 1_554 .
Na42 Na38 Na40 75.23(15) . .
O74 Na38 H4DZ 98.5 1_554 .
O148 Na38 H4DZ 100.8 . .
O147 Na38 H4DZ 19.7 . .
O22 Na38 H4DZ 133.3 1_554 .
O2 Na38 H4DZ 62.9 1_554 .
O130 Na38 H4DZ 92.1 1_554 .
Gd1 Na38 H4DZ 96.2 1_554 .
Na42 Na38 H4DZ 112.2 . .
Na40 Na38 H4DZ 40.5 . .
O4 Na39 O150 99.7(2) . .
O4 Na39 O146 99.7(2) . 1_556
O150 Na39 O146 82.1(2) . 1_556
O4 Na39 O86 96.5(2) . .
O150 Na39 O86 119.9(2) . .
O146 Na39 O86 149.9(2) 1_556 .
O4 Na39 O73 102.9(2) . .
O150 Na39 O73 154.4(2) . .
O146 Na39 O73 82.4(2) 1_556 .
O86 Na39 O73 69.3(2) . .
O4 Na39 O136 166.6(2) . 1_656
O150 Na39 O136 88.1(2) . 1_656
O146 Na39 O136 92.1(2) 1_556 1_656
O86 Na39 O136 70.11(19) . 1_656
O73 Na39 O136 72.23(19) . 1_656
O4 Na39 C3 21.23(19) . .
O150 Na39 C3 120.3(2) . .
O146 Na39 C3 106.3(2) 1_556 .
O86 Na39 C3 81.24(19) . .
O73 Na39 C3 83.7(2) . .
O136 Na39 C3 147.5(2) 1_656 .
O4 Na39 C134 170.5(2) . 1_656
O150 Na39 C134 74.4(2) . 1_656
O146 Na39 C134 72.3(2) 1_556 1_656
O86 Na39 C134 93.0(2) . 1_656
O73 Na39 C134 81.5(2) . 1_656
O136 Na39 C134 22.94(18) 1_656 1_656
C3 Na39 C134 165.2(2) . 1_656
O4 Na39 Gd65 125.62(15) . .
O150 Na39 Gd65 128.46(17) . .
O146 Na39 Gd65 109.36(16) 1_556 .
O86 Na39 Gd65 41.42(14) . .
O73 Na39 Gd65 41.09(13) . .
O136 Na39 Gd65 43.00(12) 1_656 .
C3 Na39 Gd65 104.77(16) . .
C134 Na39 Gd65 63.10(13) 1_656 .
O4 Na39 Na41 36.90(17) . .
O150 Na39 Na41 64.21(19) . .
O146 Na39 Na41 103.3(2) 1_556 .
O86 Na39 Na41 104.9(2) . .
O73 Na39 Na41 139.72(19) . .
O136 Na39 Na41 145.5(2) 1_656 .
C3 Na39 Na41 56.21(19) . .
C134 Na39 Na41 138.54(19) 1_656 .
Gd65 Na39 Na41 146.16(15) . .
O4 Na39 Na40 75.55(15) . 1_556
O150 Na39 Na40 71.80(17) . 1_556
O146 Na39 Na40 28.57(15) 1_556 1_556
O86 Na39 Na40 167.28(17) . 1_556
O73 Na39 Na40 102.39(17) . 1_556
O136 Na39 Na40 117.49(16) 1_656 1_556
C3 Na39 Na40 88.38(15) . 1_556
C134 Na39 Na40 95.33(17) 1_656 1_556
Gd65 Na39 Na40 136.75(10) . 1_556
Na41 Na39 Na40 74.80(14) . 1_556
O154 Na40 O152 165.2(3) . .
O154 Na40 O147 87.7(3) . .
O152 Na40 O147 103.7(3) . .
O154 Na40 O119 78.8(3) . 1_655
O152 Na40 O119 93.4(3) . 1_655
O147 Na40 O119 155.8(3) . 1_655
O154 Na40 O146 103.6(3) . .
O152 Na40 O146 88.1(2) . .
O147 Na40 O146 78.8(2) . .
O119 Na40 O146 85.0(2) 1_655 .
O154 Na40 O59 93.8(3) . .
O152 Na40 O59 78.4(3) . .
O147 Na40 O59 84.0(2) . .
O119 Na40 O59 116.6(3) 1_655 .
O146 Na40 O59 154.9(3) . .
O154 Na40 Na45 88.9(3) . .
O152 Na40 Na45 77.2(3) . .
O147 Na40 Na45 160.2(2) . .
O119 Na40 Na45 40.6(2) 1_655 .
O146 Na40 Na45 120.9(2) . .
O59 Na40 Na45 76.9(2) . .
O154 Na40 Na38 70.5(2) . .
O152 Na40 Na38 123.6(2) . .
O147 Na40 Na38 28.38(15) . .
O119 Na40 Na38 127.5(2) 1_655 .
O146 Na40 Na38 63.26(15) . .
O59 Na40 Na38 107.14(18) . .
Na45 Na40 Na38 159.1(2) . .
O154 Na40 Na39 123.8(3) . 1_554
O152 Na40 Na39 70.4(2) . 1_554
O147 Na40 Na39 63.90(15) . 1_554
O119 Na40 Na39 107.5(2) 1_655 1_554
O146 Na40 Na39 28.26(15) . 1_554
O59 Na40 Na39 126.7(2) . 1_554
Na45 Na40 Na39 132.60(18) . 1_554
Na38 Na40 Na39 61.96(7) . 1_554
O154 Na40 H4BZ 99.9 . .
O152 Na40 H4BZ 88.1 . .
O147 Na40 H4BZ 97.3 . .
O119 Na40 H4BZ 66.0 1_655 .
O146 Na40 H4BZ 19.0 . .
O59 Na40 H4BZ 166.3 . .
Na45 Na40 H4BZ 102.5 . .
Na38 Na40 H4BZ 78.4 . .
Na39 Na40 H4BZ 44.3 1_554 .
O154 Na40 H4CZ 88.0 . .
O152 Na40 H4CZ 99.7 . .
O147 Na40 H4CZ 19.1 . .
O119 Na40 H4CZ 166.7 1_655 .
O146 Na40 H4CZ 97.3 . .
O59 Na40 H4CZ 64.9 . .
Na45 Na40 H4CZ 141.3 . .
Na38 Na40 H4CZ 44.8 . .
Na39 Na40 H4CZ 79.0 1_554 .
H4BZ Na40 H4CZ 116.0 . .
O158 Na41 O162 83.1(5) . .
O158 Na41 O151 96.9(4) . .
O162 Na41 O151 130.8(5) . .
O158 Na41 O4 144.1(5) . .
O162 Na41 O4 108.6(4) . .
O151 Na41 O4 99.8(3) . .
O158 Na41 O153 75.3(4) . .
O162 Na41 O153 69.7(4) . .
O151 Na41 O153 157.8(5) . .
O4 Na41 O153 77.2(3) . .
O158 Na41 Na44 34.8(3) . .
O162 Na41 Na44 78.7(4) . .
O151 Na41 Na44 125.8(3) . .
O4 Na41 Na44 112.4(3) . .
O153 Na41 Na44 41.2(3) . .
O158 Na41 Na39 169.6(5) . .
O162 Na41 Na39 107.2(4) . .
O151 Na41 Na39 75.4(2) . .
O4 Na41 Na39 34.73(15) . .
O153 Na41 Na39 109.2(3) . .
Na44 Na41 Na39 147.1(2) . .
O158 Na41 H5OZ 17.7 . .
O162 Na41 H5OZ 72.2 . .
O151 Na41 H5OZ 93.5 . .
O4 Na41 H5OZ 160.4 . .
O153 Na41 H5OZ 85.0 . .
Na44 Na41 H5OZ 48.1 . .
Na39 Na41 H5OZ 164.9 . .
O161 Na42 O155 92.3(5) . .
O161 Na42 O74 150.8(5) . 1_554
O155 Na42 O74 96.9(4) . 1_554
O161 Na42 O170 82.2(6) . .
O155 Na42 O170 127.6(6) . .
O74 Na42 O170 112.8(5) 1_554 .
O161 Na42 O163 79.3(5) . .
O155 Na42 O163 155.3(5) . .
O74 Na42 O163 80.8(3) 1_554 .
O170 Na42 O163 74.7(5) . .
O161 Na42 Na'5 37.9(4) . 1_544
O155 Na42 Na'5 123.6(5) . 1_544
O74 Na42 Na'5 117.3(4) 1_554 1_544
O170 Na42 Na'5 80.2(5) . 1_544
O163 Na42 Na'5 42.0(3) . 1_544
O161 Na42 Na38 167.5(5) . .
O155 Na42 Na38 75.3(3) . .
O74 Na42 Na38 34.06(16) 1_554 .
O170 Na42 Na38 106.2(5) . .
O163 Na42 Na38 111.5(3) . .
Na'5 Na42 Na38 151.2(3) 1_544 .
O161 Na42 H6BZ 16.9 . .
O155 Na42 H6BZ 89.7 . .
O74 Na42 H6BZ 167.1 1_554 .
O170 Na42 H6BZ 70.8 . .
O163 Na42 H6BZ 88.6 . .
Na'5 Na42 H6BZ 50.3 1_544 .
Na38 Na42 H6BZ 158.6 . .
O161 Na42 H6CZ 16.1 . .
O155 Na42 H6CZ 81.2 . .
O74 Na42 H6CZ 140.8 1_554 .
O170 Na42 H6CZ 98.3 . .
O163 Na42 H6CZ 85.2 . .
Na'5 Na42 H6CZ 43.7 1_544 .
Na38 Na42 H6CZ 153.1 . .
H6BZ Na42 H6CZ 29.6 . .
O188 Na43 O25 87.6(8) . 2_667
O188 Na43 O160 131.2(10) . .
O25 Na43 O160 83.8(5) 2_667 .
O188 Na43 O89 89.6(8) . 2_767
O25 Na43 O89 166.8(6) 2_667 2_767
O160 Na43 O89 88.4(5) . 2_767
O188 Na43 O159 149.1(9) . .
O25 Na43 O159 79.9(4) 2_667 .
O160 Na43 O159 75.7(5) . .
O89 Na43 O159 108.5(5) 2_767 .
O188 Na43 Na'5 64.2(8) . .
O25 Na43 Na'5 77.1(4) 2_667 .
O160 Na43 Na'5 155.2(5) . .
O89 Na43 Na'5 113.1(4) 2_767 .
O159 Na43 Na'5 85.4(4) . .
O188 Na43 Na44 162.8(8) . .
O25 Na43 Na44 108.0(3) 2_667 .
O160 Na43 Na44 59.8(4) . .
O89 Na43 Na44 76.7(4) 2_767 .
O159 Na43 Na44 35.0(3) . .
Na'5 Na43 Na44 111.4(3) . .
O158 Na44 O173 102.1(6) . .
O158 Na44 O153 85.2(5) . .
O173 Na44 O153 100.7(7) . .
O158 Na44 O159 85.6(5) . .
O173 Na44 O159 82.3(6) . .
O153 Na44 O159 170.8(5) . .
O158 Na44 O62A 138.5(7) . 1_556
O173 Na44 O62A 119.0(7) . 1_556
O153 Na44 O62A 91.8(4) . 1_556
O159 Na44 O62A 94.3(5) . 1_556
O158 Na44 O62B 152.4(8) . 1_556
O173 Na44 O62B 105.2(8) . 1_556
O153 Na44 O62B 86.0(7) . 1_556
O159 Na44 O62B 101.7(7) . 1_556
O62A Na44 O62B 16.3(7) 1_556 1_556
O158 Na44 Na41 36.3(4) . .
O173 Na44 Na41 99.3(5) . .
O153 Na44 Na41 49.7(3) . .
O159 Na44 Na41 121.4(4) . .
O62A Na44 Na41 131.2(4) 1_556 .
O62B Na44 Na41 132.8(6) 1_556 .
O158 Na44 Na43 60.8(4) . .
O173 Na44 Na43 116.5(5) . .
O153 Na44 Na43 133.1(4) . .
O159 Na44 Na43 39.6(3) . .
O62A Na44 Na43 93.9(5) 1_556 .
O62B Na44 Na43 108.9(7) 1_556 .
Na41 Na44 Na43 94.7(2) . .
O158 Na44 H5OZ 15.8 . .
O173 Na44 H5OZ 115.1 . .
O153 Na44 H5OZ 91.7 . .
O159 Na44 H5OZ 79.2 . .
O62A Na44 H5OZ 124.0 1_556 .
O62B Na44 H5OZ 139.4 1_556 .
Na41 Na44 H5OZ 46.8 . .
Na43 Na44 H5OZ 47.9 . .
O158 Na44 H5PZ 20.6 . .
O173 Na44 H5PZ 84.7 . .
O153 Na44 H5PZ 99.2 . .
O159 Na44 H5PZ 72.3 . .
O62A Na44 H5PZ 151.6 1_556 .
O62B Na44 H5PZ 167.9 1_556 .
Na41 Na44 H5PZ 49.9 . .
Na43 Na44 H5PZ 59.7 . .
H5OZ Na44 H5PZ 30.4 . .
O175 Na45 O165 110.3(6) . .
O175 Na45 O119 126.4(6) . 1_655
O165 Na45 O119 101.5(5) . 1_655
O175 Na45 O157 127.8(6) . .
O165 Na45 O157 97.1(5) . .
O119 Na45 O157 87.6(4) 1_655 .
O175 Na45 Na40 156.2(6) . .
O165 Na45 Na40 71.0(3) . .
O119 Na45 Na40 35.6(2) 1_655 .
O157 Na45 Na40 74.1(3) . .
O161 Na'5 O163 85.0(7) 1_566 1_566
O161 Na'5 O121 141.9(9) 1_566 1_666
O163 Na'5 O121 91.4(6) 1_566 1_666
O161 Na'5 Na42 37.4(4) 1_566 1_566
O163 Na'5 Na42 48.1(4) 1_566 1_566
O121 Na'5 Na42 131.1(6) 1_666 1_566
O161 Na'5 Na43 62.1(5) 1_566 .
O163 Na'5 Na43 134.0(6) 1_566 .
O121 Na'5 Na43 95.9(5) 1_666 .
Na42 Na'5 Na43 96.7(4) 1_566 .
Na39 O146 Na40 123.2(3) 1_554 .
Na39 O146 H4AZ 89.5 1_554 .
Na40 O146 H4AZ 111.6 . .
Na39 O146 H4BZ 128.3 1_554 .
Na40 O146 H4BZ 91.7 . .
H4AZ O146 H4BZ 113.5 . .
Na38 O147 Na40 123.1(3) . .
Na38 O147 H4CZ 128.6 . .
Na40 O147 H4CZ 93.2 . .
Na38 O147 H4DZ 89.9 . .
Na40 O147 H4DZ 110.3 . .
H4CZ O147 H4DZ 111.9 . .
Na38 O148 H4EZ 109.5 . .
Gd65 O149 H4GZ 109.5 . .
Gd65 O149 H4HZ 127.9 . .
H4GZ O149 H4HZ 115.9 . .
Na39 O150 H5AZ 109.5 . .
Na41 O151 H5CZ 109.5 . .
Na40 O152 H5DZ 109.5 . .
Na40 O152 H5EZ 107.5 . .
H5DZ O152 H5EZ 100.9 . .
Na44 O153 Na41 89.1(4) . .
Na40 O154 H5GZ 109.5 . .
Na42 O155 H5IZ 109.5 . .
Na45 O157 H5MZ 109.5 . .
Na45 O157 H5NZ 97.1 . .
H5MZ O157 H5NZ 100.8 . .
Na44 O158 Na41 108.9(6) . .
Na44 O158 H5OZ 119.4 . .
Na41 O158 H5OZ 107.8 . .
Na44 O158 H5PZ 95.0 . .
Na41 O158 H5PZ 118.1 . .
H5OZ O158 H5PZ 107.8 . .
Na44 O159 Na43 105.3(5) . .
Na44 O159 H5QZ 129.0 . .
Na43 O159 H5QZ 84.9 . .
Na'5 O161 Na42 104.7(7) 1_544 .
Na'5 O161 H6BZ 118.2 1_544 .
Na42 O161 H6BZ 113.7 . .
Na'5 O161 H6CZ 93.5 1_544 .
Na42 O161 H6CZ 117.2 . .
H6BZ O161 H6CZ 108.2 . .
Na'5 O163 Na42 89.9(5) 1_544 .
Na'5 O163 H6EZ 126.5 1_544 .
Na42 O163 H6EZ 142.4 . .
Na45 O165 H6HZ 109.5 . .
Na42 O170 H7AZ 109.5 . .
Na43 O188 H8DZ 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Gd1 O9 2.382(5) .
Gd1 O2 2.391(5) .
Gd1 O24 2.412(7) .
Gd1 O22 2.406(5) .
Gd1 O133 2.406(6) .
Gd1 O130 2.408(5) .
Gd1 N17 2.629(7) .
Gd1 N19 2.649(8) .
Gd1 N6 2.646(7) .
Gd1 Na38 3.596(3) 1_556
O2 C3 1.280(10) .
O2 Na38 2.415(6) 1_556
C3 O4 1.249(9) .
C3 C5 1.490(11) .
C3 Na39 3.095(8) .
O4 Na39 2.336(6) .
O4 Na41 2.461(8) .
C5 N6 1.524(10) .
C5 H5A 0.9900 .
C5 H5B 0.9900 .
N6 C7 1.466(10) .
N6 C11 1.500(10) .
C7 C8 1.575(10) .
C7 H7A 0.9900 .
C7 H7B 0.9900 .
C8 O10 1.251(9) .
C8 O9 1.248(9) .
C11 C12 1.514(13) .
C11 H11A 0.9900 .
C11 H11B 0.9900 .
C12 N17 1.331(11) .
C12 C13 1.394(11) .
C13 C14 1.394(14) .
C13 H13 0.9500 .
C14 C15 1.345(15) .
C14 C28 1.411(11) .
C15 C16 1.364(13) .
C15 H15 0.9500 .
C16 N17 1.372(13) .
C16 C18 1.443(15) .
C18 N19 1.507(15) .
C18 H18A 0.9900 .
C18 H18B 0.9900 .
N19 C20 1.422(12) .
N19 C27 1.482(13) .
C20 C21 1.605(11) .
C20 H20A 0.9900 .
C20 H20B 0.9900 .
C21 O22 1.225(11) .
C21 O23 1.266(12) .
O22 Na38 2.371(5) 1_556
O24 C26 1.160(14) .
O25 C26 1.234(12) .
O25 Na43 2.432(11) 2_667
C26 C27 1.51(2) .
C27 H27A 0.9900 .
C27 H27B 0.9900 .
C28 C29 1.218(13) .
C29 C30 1.439(13) .
C30 C35 1.352(18) .
C30 C31 1.416(18) .
C31 C32 1.396(14) .
C31 H31 0.9500 .
C32 C33 1.310(18) .
C32 H32 0.9500 .
C33 C34 1.454(18) .
C33 C36 1.427(14) .
C34 C35 1.408(13) .
C34 H34 0.9500 .
C35 H35 0.9500 .
C36 C37 1.223(14) .
C37 C38 1.441(12) .
C38 C39 1.327(14) .
C38 C43 1.420(14) .
C39 C40 1.411(12) .
C39 H39 0.9500 .
C40 N41 1.363(13) .
C40 C54 1.429(14) .
N41 C42 1.320(11) .
N41 Gd64 2.613(7) .
C42 C43 1.404(11) .
C42 C44 1.500(12) .
C43 H43 0.9500 .
C44 N45 1.492(10) .
C44 H44A 0.9900 .
C44 H44B 0.9900 .
N45 C50 1.423(12) .
N45 C46 1.490(12) .
N45 Gd64 2.683(8) .
C46 C47B 1.18(4) .
C46 C47A 1.591(18) .
C46 O48B 1.75(4) .
C46 H46A 0.9900 .
C46 H46B 0.9900 .
C47A O49A 1.246(19) .
C47A O48A 1.21(2) .
C47A Gd64 3.035(18) .
O48A Gd64 2.302(11) .
C47B O49B 1.21(4) .
C47B O48B 1.18(5) .
O48B Gd64 2.50(3) .
C50 C51 1.515(14) .
C50 H50A 0.9900 .
C50 H50B 0.9900 .
C51 O53 1.238(11) .
C51 O52 1.235(11) .
O52 Gd64 2.386(5) .
C54 N55 1.501(10) .
C54 H54A 0.9900 .
C54 H54B 0.9900 .
N55 C60A 1.451(16) .
N55 C56 1.469(14) .
N55 C60B 1.59(6) .
N55 Gd64 2.673(9) .
C56 C57 1.498(12) .
C56 H56A 0.9900 .
C56 H56B 0.9900 .
C57 O59 1.239(12) .
C57 O58 1.323(11) .
O58 Gd64 2.390(6) .
O59 Na40 2.503(8) .
C60A C61A 1.48(2) .
C60A H60A 0.9900 .
C60A H60B 0.9900 .
C61A O62A 1.270(16) .
C61A O63A 1.38(2) .
O62A Na44 2.425(14) 1_554
O63A Gd64 2.439(11) .
C60B C61B 1.41(7) .
C60B Gd64 2.98(5) .
C60B H60C 0.9900 .
C60B H60D 0.9900 .
C61B O62B 1.22(2) .
C61B O63B 1.44(5) .
C61B Gd64 2.99(4) .
O62B Na44 2.94(4) 1_554
O63B Gd64 2.28(3) .
Gd64 O131 2.377(5) 1_554
Gd64 O132 2.493(5) 1_554
Gd64 C129 2.852(8) 1_554
Gd65 O66 2.374(5) .
Gd65 O73 2.381(5) .
Gd65 O88 2.374(6) .
Gd65 O86 2.397(6) .
Gd65 O149 2.420(6) .
Gd65 O136 2.457(5) 1_656
Gd65 N70 2.662(6) .
Gd65 N81 2.667(7) .
Gd65 N83 2.671(8) .
Gd65 Na39 3.596(3) .
O66 C67 1.262(10) .
C67 O68 1.261(9) .
C67 C69 1.464(11) .
C69 N70 1.463(10) .
C69 H69A 0.9900 .
C69 H69B 0.9900 .
N70 C75 1.457(10) .
N70 C71 1.478(10) .
C71 C72 1.527(12) .
C71 H71A 0.9900 .
C71 H71B 0.9900 .
C72 O73 1.275(10) .
C72 O74 1.252(10) .
O73 Na39 2.423(6) .
O74 Na38 2.326(6) 1_556
O74 Na42 2.494(9) 1_556
C75 C76 1.503(12) .
C75 H75A 0.9900 .
C75 H75B 0.9900 .
C76 N81 1.304(11) .
C76 C77 1.404(10) .
C77 C78 1.363(13) .
C77 H77 0.9500 .
C78 C79 1.374(13) .
C78 C92 1.458(10) .
C79 C80 1.381(12) .
C79 H79 0.9500 .
C80 N81 1.376(13) .
C80 C82 1.426(15) .
C82 N83 1.551(13) .
C82 H82A 0.9900 .
C82 H82B 0.9900 .
N83 C84 1.443(12) .
N83 C91 1.440(13) .
C84 C85 1.576(14) .
C84 H84A 0.9900 .
C84 H84B 0.9900 .
C85 O86 1.217(11) .
C85 O87 1.262(11) .
O86 Na39 2.401(6) .
O88 C90 1.262(13) .
O89 C90 1.264(12) .
O89 Na43 2.505(13) 2_767
C90 C91 1.570(13) .
C91 H91A 0.9900 .
C91 H91B 0.9900 .
C92 C93 1.162(12) .
C93 C94 1.451(12) .
C94 C95 1.317(16) .
C94 C96 1.348(16) .
C95 C96 1.385(14) 2_656
C95 H95 0.9500 .
C96 C95 1.385(14) 2_656
C96 H96 0.9500 .
Gd97 O106 2.328(7) .
Gd97 O98 2.363(6) .
Gd97 O135 2.386(6) .
Gd97 O118 2.415(6) .
Gd97 O120 2.449(7) .
Gd97 O137 2.491(6) .
Gd97 N113 2.610(6) .
Gd97 N102 2.622(8) .
Gd97 N115 2.704(8) .
Gd97 C134 2.853(7) .
O98 C99 1.333(13) .
C99 O100 1.242(11) .
C99 C101 1.522(16) .
C101 N102 1.437(13) .
C101 H10A 0.9900 .
C101 H10B 0.9900 .
N102 C107 1.501(10) .
N102 C103 1.539(13) .
C103 C104 1.499(17) .
C103 H10C 0.9900 .
C103 H10D 0.9900 .
C104 O106 1.164(15) .
C104 O105 1.265(12) .
C107 C108 1.494(14) .
C107 H10E 0.9900 .
C107 H10F 0.9900 .
C108 N113 1.329(11) .
C108 C109 1.392(12) .
C109 C110 1.418(16) .
C109 H109 0.9500 .
C110 C111 1.352(16) .
C110 C124 1.429(14) .
C111 C112 1.432(14) .
C111 H111 0.9500 .
C112 N113 1.379(11) .
C112 C114 1.405(14) .
C114 N115 1.491(12) .
C114 H11C 0.9900 .
C114 H11D 0.9900 .
N115 C123 1.420(13) .
N115 C116 1.507(13) .
C116 C117 1.478(13) .
C116 H11E 0.9900 .
C116 H11F 0.9900 .
C117 O119 1.285(11) .
C117 O118 1.329(11) .
O119 Na40 2.425(8) 1_455
O119 Na45 2.711(13) 1_455
O120 C122 1.371(18) .
O121 C122 1.239(13) .
O121 Na'5 2.584(18) 1_444
C122 C123 1.450(19) .
C123 H12A 0.9900 .
C123 H12B 0.9900 .
C124 C125 1.214(17) .
C125 C126 1.445(15) .
C126 C128 1.35(3) 2_666
C126 C127 1.27(3) .
C126 C1B7 1.51(3) .
C126 C1B8 1.53(3) 2_666
C127 C128 1.42(3) .
C127 H127 0.9500 .
C128 C126 1.35(3) 2_666
C128 H128 0.9500 .
C1B7 C1B8 1.51(3) .
C1B7 H1B7 0.9500 .
C1B8 C126 1.53(3) 2_666
C1B8 H1B8 0.9500 .
C129 O131 1.271(9) .
C129 O130 1.292(9) .
C129 O132 1.301(10) .
C129 Gd64 2.852(8) 1_556
O130 Na38 2.569(6) 1_556
O131 Gd64 2.377(5) 1_556
O132 Gd64 2.493(5) 1_556
O133 H3AZ 0.8400 .
O133 H3BZ 0.8469 .
C134 O136 1.274(9) .
C134 O135 1.298(8) .
C134 O137 1.312(10) .
C134 Na39 3.116(8) 1_454
O136 Gd65 2.457(5) 1_454
O136 Na39 2.485(6) 1_454
Na38 O74 2.326(6) 1_554
Na38 O148 2.342(6) .
Na38 O147 2.360(6) .
Na38 O22 2.371(5) 1_554
Na38 O2 2.415(6) 1_554
Na38 O130 2.569(6) 1_554
Na38 Gd1 3.596(3) 1_554
Na38 Na42 3.926(8) .
Na38 Na40 4.161(4) .
Na38 H4DZ 2.5050 .
Na39 O150 2.342(6) .
Na39 O146 2.387(6) 1_556
Na39 O136 2.485(6) 1_656
Na39 C134 3.116(8) 1_656
Na39 Na41 3.891(7) .
Na39 Na40 4.219(4) 1_556
Na40 O154 2.313(10) .
Na40 O152 2.309(9) .
Na40 O147 2.374(6) .
Na40 O119 2.425(8) 1_655
Na40 O146 2.410(6) .
Na40 Na45 4.045(12) .
Na40 Na39 4.219(4) 1_554
Na40 H4BZ 2.5766 .
Na40 H4CZ 2.5616 .
Na41 O158 2.227(13) .
Na41 O162 2.405(16) .
Na41 O151 2.460(11) .
Na41 O153 2.713(13) .
Na41 Na44 3.558(10) .
Na41 H5OZ 2.6045 .
Na42 O161 2.192(15) .
Na42 O155 2.379(13) .
Na42 O74 2.494(9) 1_554
Na42 O170 2.53(2) .
Na42 O163 2.600(12) .
Na42 Na'5 3.491(18) 1_544
Na42 H6BZ 2.6436 .
Na42 H6CZ 2.6820 .
Na43 O188 2.21(3) .
Na43 O25 2.432(11) 2_667
Na43 O160 2.455(17) .
Na43 O89 2.506(13) 2_767
Na43 O159 2.712(15) .
Na43 Na'5 4.116(19) .
Na43 Na44 4.101(12) .
Na44 O158 2.146(13) .
Na44 O173 2.178(19) .
Na44 O153 2.343(14) .
Na44 O159 2.441(15) .
Na44 O62A 2.425(14) 1_556
Na44 O62B 2.94(4) 1_556
Na44 H5OZ 2.6557 .
Na44 H5PZ 2.3695 .
Na45 O175 2.66(2) .
Na45 O165 2.722(15) .
Na45 O119 2.711(13) 1_655
Na45 O157 2.797(16) .
Na'5 O161 2.22(2) 1_566
Na'5 O163 2.334(18) 1_566
Na'5 O121 2.584(19) 1_666
Na'5 Na42 3.491(18) 1_566
O146 Na39 2.387(6) 1_554
O146 H4AZ 0.8390 .
O146 H4BZ 0.8409 .
O147 H4CZ 0.8390 .
O147 H4DZ 0.8431 .
O148 H4EZ 0.8400 .
O149 H4GZ 0.8400 .
O149 H4HZ 0.8475 .
O150 H5AZ 0.8400 .
O151 H5CZ 0.8400 .
O152 H5DZ 0.8400 .
O152 H5EZ 0.8386 .
O154 H5GZ 0.8400 .
O155 H5IZ 0.8400 .
O157 H5MZ 0.8400 .
O157 H5NZ 0.8400 .
O158 H5OZ 0.8317 .
O158 H5PZ 0.8351 .
O159 H5QZ 0.8387 .
O161 Na'5 2.22(2) 1_544
O161 H6BZ 0.8395 .
O161 H6CZ 0.8390 .
O163 Na'5 2.334(18) 1_544
O163 H6EZ 0.8431 .
O165 H6HZ 0.8400 .
O170 H7AZ 0.8400 .
O188 H8DZ 0.8400 .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
O9 Gd1 O2 C3 23.2(6) . .
O24 Gd1 O2 C3 -107.6(7) . .
O22 Gd1 O2 C3 166.8(6) . .
O133 Gd1 O2 C3 -43.5(5) . .
O130 Gd1 O2 C3 -117.5(6) . .
N17 Gd1 O2 C3 88.6(6) . .
N19 Gd1 O2 C3 146.0(6) . .
N6 Gd1 O2 C3 29.8(5) . .
Na38 Gd1 O2 C3 -156.9(7) 1_556 .
O9 Gd1 O2 Na38 -179.84(18) . 1_556
O24 Gd1 O2 Na38 49.3(6) . 1_556
O22 Gd1 O2 Na38 -36.22(18) . 1_556
O133 Gd1 O2 Na38 113.4(2) . 1_556
O130 Gd1 O2 Na38 39.39(19) . 1_556
N17 Gd1 O2 Na38 -114.5(2) . 1_556
N19 Gd1 O2 Na38 -57.0(3) . 1_556
N6 Gd1 O2 Na38 -173.3(3) . 1_556
Gd1 O2 C3 O4 158.0(5) . .
Na38 O2 C3 O4 9.9(11) 1_556 .
Gd1 O2 C3 C5 -18.9(10) . .
Na38 O2 C3 C5 -167.0(5) 1_556 .
Gd1 O2 C3 Na39 -160.7(3) . .
Na38 O2 C3 Na39 51.2(6) 1_556 .
O2 C3 O4 Na39 71.4(8) . .
C5 C3 O4 Na39 -111.7(7) . .
O2 C3 O4 Na41 -144.4(6) . .
C5 C3 O4 Na41 32.5(9) . .
Na39 C3 O4 Na41 144.2(7) . .
O4 C3 C5 N6 166.3(6) . .
O2 C3 C5 N6 -16.6(10) . .
Na39 C3 C5 N6 116.3(6) . .
C3 C5 N6 C7 161.1(6) . .
C3 C5 N6 C11 -79.4(8) . .
C3 C5 N6 Gd1 37.5(8) . .
O9 Gd1 N6 C7 19.0(5) . .
O2 Gd1 N6 C7 -155.3(6) . .
O24 Gd1 N6 C7 -5.4(7) . .
O22 Gd1 N6 C7 158.5(5) . .
O133 Gd1 N6 C7 -62.4(5) . .
O130 Gd1 N6 C7 -115.2(5) . .
N17 Gd1 N6 C7 95.3(6) . .
N19 Gd1 N6 C7 82.4(6) . .
Na38 Gd1 N6 C7 -159.9(5) 1_556 .
O9 Gd1 N6 C11 -103.3(5) . .
O2 Gd1 N6 C11 82.4(4) . .
O24 Gd1 N6 C11 -127.8(5) . .
O22 Gd1 N6 C11 36.2(5) . .
O133 Gd1 N6 C11 175.2(5) . .
O130 Gd1 N6 C11 122.5(4) . .
N17 Gd1 N6 C11 -27.0(4) . .
N19 Gd1 N6 C11 -40.0(5) . .
Na38 Gd1 N6 C11 77.8(4) 1_556 .
O9 Gd1 N6 C5 141.1(6) . .
O2 Gd1 N6 C5 -33.2(5) . .
O24 Gd1 N6 C5 116.7(6) . .
O22 Gd1 N6 C5 -79.4(5) . .
O133 Gd1 N6 C5 59.7(5) . .
O130 Gd1 N6 C5 6.9(6) . .
N17 Gd1 N6 C5 -142.6(6) . .
N19 Gd1 N6 C5 -155.5(5) . .
Na38 Gd1 N6 C5 -37.8(5) 1_556 .
C11 N6 C7 C8 92.7(8) . .
C5 N6 C7 C8 -150.3(6) . .
Gd1 N6 C7 C8 -28.7(8) . .
N6 C7 C8 O10 -156.6(7) . .
N6 C7 C8 O9 26.5(10) . .
O10 C8 O9 Gd1 174.2(6) . .
C7 C8 O9 Gd1 -9.3(10) . .
O2 Gd1 O9 C8 1.2(7) . .
O24 Gd1 O9 C8 157.7(7) . .
O22 Gd1 O9 C8 -108.7(6) . .
O133 Gd1 O9 C8 72.1(6) . .
O130 Gd1 O9 C8 112.8(6) . .
N17 Gd1 O9 C8 -76.4(6) . .
N19 Gd1 O9 C8 -139.3(7) . .
N6 Gd1 O9 C8 -5.2(6) . .
Na38 Gd1 O9 C8 0.6(13) 1_556 .
C7 N6 C11 C12 -70.4(8) . .
C5 N6 C11 C12 170.4(6) . .
Gd1 N6 C11 C12 53.1(7) . .
N6 C11 C12 N17 -59.2(9) . .
N6 C11 C12 C13 121.7(8) . .
N17 C12 C13 C14 2.0(14) . .
C11 C12 C13 C14 -179.0(8) . .
C12 C13 C14 C15 -1.5(15) . .
C12 C13 C14 C28 178.9(9) . .
C13 C14 C15 C16 0.1(18) . .
C28 C14 C15 C16 179.7(12) . .
C14 C15 C16 N17 1(2) . .
C14 C15 C16 C18 -162.8(13) . .
C13 C12 N17 C16 -0.9(14) . .
C11 C12 N17 C16 180.0(9) . .
C13 C12 N17 Gd1 -147.7(7) . .
C11 C12 N17 Gd1 33.2(9) . .
C15 C16 N17 C12 -0.6(18) . .
C18 C16 N17 C12 165.7(10) . .
C15 C16 N17 Gd1 146.0(11) . .
C18 C16 N17 Gd1 -47.8(13) . .
O9 Gd1 N17 C12 69.5(6) . .
O2 Gd1 N17 C12 -60.0(6) . .
O24 Gd1 N17 C12 129.1(6) . .
O22 Gd1 N17 C12 -129.3(6) . .
O133 Gd1 N17 C12 26.4(7) . .
O130 Gd1 N17 C12 -123.2(6) . .
N19 Gd1 N17 C12 165.5(7) . .
N6 Gd1 N17 C12 -2.9(6) . .
Na38 Gd1 N17 C12 -99.9(6) 1_556 .
O9 Gd1 N17 C16 -77.0(7) . .
O2 Gd1 N17 C16 153.6(7) . .
O24 Gd1 N17 C16 -17.4(8) . .
O22 Gd1 N17 C16 84.3(7) . .
O133 Gd1 N17 C16 -120.1(7) . .
O130 Gd1 N17 C16 90.3(8) . .
N19 Gd1 N17 C16 19.0(7) . .
N6 Gd1 N17 C16 -149.4(8) . .
Na38 Gd1 N17 C16 113.6(7) 1_556 .
N17 C16 C18 N19 57.2(14) . .
C15 C16 C18 N19 -137.3(14) . .
C16 C18 N19 C20 -158.6(10) . .
C16 C18 N19 C27 77.8(12) . .
C16 C18 N19 Gd1 -39.7(12) . .
O9 Gd1 N19 C20 -161.3(6) . .
O2 Gd1 N19 C20 60.4(7) . .
O24 Gd1 N19 C20 -86.4(7) . .
O22 Gd1 N19 C20 38.5(6) . .
O133 Gd1 N19 C20 -103.5(6) . .
O130 Gd1 N19 C20 -21.4(7) . .
N17 Gd1 N19 C20 130.9(7) . .
N6 Gd1 N19 C20 144.0(6) . .
Na38 Gd1 N19 C20 25.5(7) 1_556 .
O9 Gd1 N19 C27 -41.2(6) . .
O2 Gd1 N19 C27 -179.5(6) . .
O24 Gd1 N19 C27 33.7(6) . .
O22 Gd1 N19 C27 158.5(7) . .
O133 Gd1 N19 C27 16.6(8) . .
O130 Gd1 N19 C27 98.6(6) . .
N17 Gd1 N19 C27 -109.1(7) . .
N6 Gd1 N19 C27 -95.9(7) . .
Na38 Gd1 N19 C27 145.5(6) 1_556 .
O9 Gd1 N19 C18 79.3(7) . .
O2 Gd1 N19 C18 -59.0(7) . .
O24 Gd1 N19 C18 154.2(7) . .
O22 Gd1 N19 C18 -81.0(7) . .
O133 Gd1 N19 C18 137.1(6) . .
O130 Gd1 N19 C18 -140.9(7) . .
N17 Gd1 N19 C18 11.4(7) . .
N6 Gd1 N19 C18 24.6(8) . .
Na38 Gd1 N19 C18 -94.0(7) 1_556 .
C27 N19 C20 C21 -162.2(9) . .
C18 N19 C20 C21 75.7(10) . .
Gd1 N19 C20 C21 -47.1(9) . .
N19 C20 C21 O22 31.0(13) . .
N19 C20 C21 O23 -157.3(11) . .
O23 C21 O22 Na38 -38.1(15) . 1_556
C20 C21 O22 Na38 133.1(7) . 1_556
O23 C21 O22 Gd1 -164.2(9) . .
C20 C21 O22 Gd1 7.0(12) . .
O9 Gd1 O22 C21 -59.0(8) . .
O2 Gd1 O22 C21 173.0(7) . .
O24 Gd1 O22 C21 24.5(7) . .
O133 Gd1 O22 C21 119.8(7) . .
O130 Gd1 O22 C21 93.8(7) . .
N17 Gd1 O22 C21 -89.2(7) . .
N19 Gd1 O22 C21 -24.4(7) . .
N6 Gd1 O22 C21 -144.2(7) . .
Na38 Gd1 O22 C21 135.9(8) 1_556 .
O9 Gd1 O22 Na38 165.1(2) . 1_556
O2 Gd1 O22 Na38 37.08(17) . 1_556
O24 Gd1 O22 Na38 -111.4(3) . 1_556
O133 Gd1 O22 Na38 -16.1(4) . 1_556
O130 Gd1 O22 Na38 -42.0(2) . 1_556
N17 Gd1 O22 Na38 135.0(2) . 1_556
N19 Gd1 O22 Na38 -160.3(3) . 1_556
N6 Gd1 O22 Na38 79.9(2) . 1_556
O9 Gd1 O24 C26 71.7(14) . .
O2 Gd1 O24 C26 -146.5(13) . .
O22 Gd1 O24 C26 -70.5(14) . .
O133 Gd1 O24 C26 148.8(14) . .
O130 Gd1 O24 C26 -136.7(14) . .
N17 Gd1 O24 C26 15.6(15) . .
N19 Gd1 O24 C26 -21.1(13) . .
N6 Gd1 O24 C26 94.8(14) . .
Na38 Gd1 O24 C26 -112.6(14) 1_556 .
Gd1 O24 C26 O25 -170.1(13) . .
Gd1 O24 C26 C27 1(2) . .
Na43 O25 C26 O24 39(3) 2_667 .
Na43 O25 C26 C27 -133.0(10) 2_667 .
C20 N19 C27 C26 70.6(12) . .
C18 N19 C27 C26 -168.5(10) . .
Gd1 N19 C27 C26 -45.9(10) . .
O24 C26 C27 N19 34.2(19) . .
O25 C26 C27 N19 -153.1(12) . .
C35 C30 C31 C32 1(2) . .
C29 C30 C31 C32 -177.8(14) . .
C30 C31 C32 C33 -7(3) . .
C31 C32 C33 C34 13(3) . .
C31 C32 C33 C36 -178.1(16) . .
C32 C33 C34 C35 -12(3) . .
C36 C33 C34 C35 177.7(15) . .
C31 C30 C35 C34 -2(2) . .
C29 C30 C35 C34 177.0(14) . .
C33 C34 C35 C30 7(2) . .
C43 C38 C39 C40 3.0(17) . .
C37 C38 C39 C40 -175.4(11) . .
C38 C39 C40 N41 -6.0(17) . .
C38 C39 C40 C54 178.4(10) . .
C39 C40 N41 C42 4.4(14) . .
C54 C40 N41 C42 -179.6(9) . .
C39 C40 N41 Gd64 -145.3(8) . .
C54 C40 N41 Gd64 30.7(11) . .
C40 N41 C42 C43 -0.1(14) . .
Gd64 N41 C42 C43 149.9(7) . .
C40 N41 C42 C44 177.6(8) . .
Gd64 N41 C42 C44 -32.4(10) . .
C39 C38 C43 C42 1.2(15) . .
C37 C38 C43 C42 179.7(9) . .
N41 C42 C43 C38 -2.8(14) . .
C44 C42 C43 C38 179.6(8) . .
N41 C42 C44 N45 55.4(11) . .
C43 C42 C44 N45 -126.8(9) . .
C42 C44 N45 C50 73.4(10) . .
C42 C44 N45 C46 -157.2(8) . .
C42 C44 N45 Gd64 -45.8(8) . .
C50 N45 C46 C47B -161(3) . .
C44 N45 C46 C47B 73(3) . .
Gd64 N45 C46 C47B -41(3) . .
C50 N45 C46 C47A -146.6(8) . .
C44 N45 C46 C47A 87.2(9) . .
Gd64 N45 C46 C47A -26.6(8) . .
C50 N45 C46 O48B -150.4(13) . .
C44 N45 C46 O48B 83.4(13) . .
Gd64 N45 C46 O48B -30.4(12) . .
C47B C46 C47A O49A -34(5) . .
N45 C46 C47A O49A 175.8(10) . .
O48B C46 C47A O49A -174(4) . .
C47B C46 C47A O48A 146(6) . .
N45 C46 C47A O48A -4.5(14) . .
O48B C46 C47A O48A 6(3) . .
C47B C46 C47A Gd64 173(5) . .
N45 C46 C47A Gd64 22.6(7) . .
O48B C46 C47A Gd64 33(3) . .
O49A C47A O48A Gd64 -138.4(11) . .
C46 C47A O48A Gd64 42.0(13) . .
N45 C46 C47B O49B -166(3) . .
C47A C46 C47B O49B 157(8) . .
O48B C46 C47B O49B 178(6) . .
N45 C46 C47B O48B 16(4) . .
C47A C46 C47B O48B -21(4) . .
O49B C47B O48B C46 -177(8) . .
C46 C47B O48B Gd64 33(6) . .
O49B C47B O48B Gd64 -144(5) . .
N45 C46 O48B C47B -168(3) . .
C47A C46 O48B C47B 22(4) . .
C47B C46 O48B Gd64 -159(4) . .
N45 C46 O48B Gd64 32.8(12) . .
C47A C46 O48B Gd64 -138(4) . .
C44 N45 C50 C51 -87.9(9) . .
C46 N45 C50 C51 148.0(8) . .
Gd64 N45 C50 C51 30.6(9) . .
N45 C50 C51 O53 159.7(8) . .
N45 C50 C51 O52 -24.0(12) . .
O53 C51 O52 Gd64 176.9(7) . .
C50 C51 O52 Gd64 0.9(11) . .
N41 C40 C54 N55 -49.1(14) . .
C39 C40 C54 N55 126.7(11) . .
C40 C54 N55 C60A 163.7(12) . .
C40 C54 N55 C56 -75.6(12) . .
C40 C54 N55 C60B 132(2) . .
C40 C54 N55 Gd64 40.4(11) . .
C60A N55 C56 C57 -75.5(10) . .
C54 N55 C56 C57 162.0(8) . .
C60B N55 C56 C57 -53(3) . .
Gd64 N55 C56 C57 42.6(9) . .
N55 C56 C57 O59 171.7(9) . .
N55 C56 C57 O58 -10.0(12) . .
O59 C57 O58 Gd64 141.3(9) . .
C56 C57 O58 Gd64 -36.8(11) . .
O58 C57 O59 Na40 -5.0(16) . .
C56 C57 O59 Na40 173.1(6) . .
C56 N55 C60A C61A 153.6(9) . .
C54 N55 C60A C61A -82.9(12) . .
C60B N55 C60A C61A 9(4) . .
Gd64 N55 C60A C61A 39.8(11) . .
N55 C60A C61A O62A 169.3(10) . .
N55 C60A C61A O63A -16.1(14) . .
O63A C61A O62A Na44 -97.9(17) . 1_554
C60A C61A O62A Na44 76.2(13) . 1_554
O62A C61A O63A Gd64 153.5(11) . .
C60A C61A O63A Gd64 -20.4(13) . .
C60A N55 C60B C61B -168(8) . .
C56 N55 C60B C61B 146(4) . .
C54 N55 C60B C61B -68(5) . .
Gd64 N55 C60B C61B 41(5) . .
C60A N55 C60B Gd64 151(4) . .
C56 N55 C60B Gd64 104.6(18) . .
C54 N55 C60B Gd64 -109.5(10) . .
N55 C60B C61B O62B 160(4) . .
Gd64 C60B C61B O62B -162(4) . .
N55 C60B C61B O63B -26(8) . .
Gd64 C60B C61B O63B 11(5) . .
N55 C60B C61B Gd64 -37(4) . .
O63B C61B O62B Na44 -116(6) . 1_554
C60B C61B O62B Na44 56(5) . 1_554
Gd64 C61B O62B Na44 -41(18) . 1_554
O62B C61B O63B Gd64 157(6) . .
C60B C61B O63B Gd64 -14(6) . .
C47A O48A Gd64 O63B 165.7(14) . .
C47A O48A Gd64 O52 -41.1(10) . .
C47A O48A Gd64 O131 33.2(9) . 1_554
C47A O48A Gd64 O58 97.1(11) . .
C47A O48A Gd64 O63A 165.8(9) . .
C47A O48A Gd64 O132 86.2(9) . 1_554
C47A O48A Gd64 O48B -22(3) . .
C47A O48A Gd64 N41 -104.0(9) . .
C47A O48A Gd64 N55 -161.6(8) . .
C47A O48A Gd64 N45 -40.4(8) . .
C47A O48A Gd64 C129 58.5(9) . 1_554
C61B O63B Gd64 O48A -178(3) . .
C61B O63B Gd64 O52 68(4) . .
C61B O63B Gd64 O131 -120(3) . 1_554
C61B O63B Gd64 O58 -29(3) . .
C61B O63B Gd64 O63A 2(3) . .
C61B O63B Gd64 O132 -95(3) . 1_554
C61B O63B Gd64 O48B 179(3) . .
C61B O63B Gd64 N41 91(3) . .
C61B O63B Gd64 N55 26(3) . .
C61B O63B Gd64 N45 155(3) . .
C61B O63B Gd64 C129 -108(3) . 1_554
C51 O52 Gd64 O48A 12.3(9) . .
C51 O52 Gd64 O63B 109(3) . .
C51 O52 Gd64 O131 -63.7(7) . 1_554
C51 O52 Gd64 O58 -146.9(7) . .
C51 O52 Gd64 O63A 143.8(8) . .
C51 O52 Gd64 O132 -91.0(7) . 1_554
C51 O52 Gd64 O48B 6.4(11) . .
C51 O52 Gd64 N41 84.2(7) . .
C51 O52 Gd64 N55 150.7(7) . .
C51 O52 Gd64 N45 11.6(7) . .
C51 O52 Gd64 C129 -74.8(7) . 1_554
C57 O58 Gd64 O48A 165.5(10) . .
C57 O58 Gd64 O63B 111.6(12) . .
C57 O58 Gd64 O52 -45.9(7) . .
C57 O58 Gd64 O131 -129.5(7) . 1_554
C57 O58 Gd64 O63A 100.9(7) . .
C57 O58 Gd64 O132 176.3(7) . 1_554
C57 O58 Gd64 O48B -161(2) . .
C57 O58 Gd64 N41 9.5(8) . .
C57 O58 Gd64 N55 44.1(7) . .
C57 O58 Gd64 N45 -72.8(8) . .
C57 O58 Gd64 C129 -155.9(7) . 1_554
C61A O63A Gd64 O48A -178.0(8) . .
C61A O63A Gd64 O63B -178(2) . .
C61A O63A Gd64 O52 37.4(10) . .
C61A O63A Gd64 O131 -106.4(7) . 1_554
C61A O63A Gd64 O58 -26.4(8) . .
C61A O63A Gd64 O132 -101.2(8) . 1_554
C61A O63A Gd64 O48B 179.8(11) . .
C61A O63A Gd64 N41 91.3(8) . .
C61A O63A Gd64 N55 29.8(7) . .
C61A O63A Gd64 N45 147.2(7) . .
C61A O63A Gd64 C129 -104.3(7) . 1_554
C47B O48B Gd64 O48A 157(7) . .
C46 O48B Gd64 O48A 179(4) . .
C47B O48B Gd64 O63B 164(5) . .
C46 O48B Gd64 O63B -174.1(19) . .
C47B O48B Gd64 O52 -39(5) . .
C46 O48B Gd64 O52 -16.6(18) . .
C47B O48B Gd64 O131 35(5) . 1_554
C46 O48B Gd64 O131 56.7(13) . 1_554
C47B O48B Gd64 O58 66(5) . .
C46 O48B Gd64 O58 88(3) . .
C47B O48B Gd64 O63A 165(5) . .
C46 O48B Gd64 O63A -173.2(14) . .
C47B O48B Gd64 O132 89(5) . 1_554
C46 O48B Gd64 O132 111.1(15) . 1_554
C47B O48B Gd64 N41 -105(5) . .
C46 O48B Gd64 N41 -82.8(14) . .
C47B O48B Gd64 N55 -150(4) . .
C46 O48B Gd64 N55 -127.8(13) . .
C47B O48B Gd64 N45 -45(4) . .
C46 O48B Gd64 N45 -22.6(9) . .
C47B O48B Gd64 C129 62(5) . 1_554
C46 O48B Gd64 C129 83.6(14) . 1_554
C42 N41 Gd64 O48A 69.0(7) . .
C40 N41 Gd64 O48A -140.4(8) . .
C42 N41 Gd64 O63B 123.4(11) . .
C40 N41 Gd64 O63B -85.9(11) . .
C42 N41 Gd64 O52 -65.6(6) . .
C40 N41 Gd64 O52 85.1(7) . .
C42 N41 Gd64 O131 -15.0(8) . 1_554
C40 N41 Gd64 O131 135.6(6) . 1_554
C42 N41 Gd64 O58 -122.9(6) . .
C40 N41 Gd64 O58 27.7(7) . .
C42 N41 Gd64 O63A 144.7(7) . .
C40 N41 Gd64 O63A -64.6(7) . .
C42 N41 Gd64 O132 102.2(9) . 1_554
C40 N41 Gd64 O132 -107.2(9) . 1_554
C42 N41 Gd64 O48B 52.6(11) . .
C40 N41 Gd64 O48B -156.7(12) . .
C42 N41 Gd64 N55 -156.3(7) . .
C40 N41 Gd64 N55 -5.6(7) . .
C42 N41 Gd64 N45 4.8(6) . .
C40 N41 Gd64 N45 155.4(7) . .
C42 N41 Gd64 C129 12.7(11) . 1_554
C40 N41 Gd64 C129 163.3(7) . 1_554
C60A N55 Gd64 O48A -72.5(10) . .
C56 N55 Gd64 O48A 171.7(6) . .
C54 N55 Gd64 O48A 50.8(8) . .
C60B N55 Gd64 O48A -57.3(18) . .
C60A N55 Gd64 O63B -46.1(11) . .
C56 N55 Gd64 O63B -161.9(9) . .
C54 N55 Gd64 O63B 77.2(10) . .
C60B N55 Gd64 O63B -31(2) . .
C60A N55 Gd64 O52 148.2(9) . .
C56 N55 Gd64 O52 32.4(5) . .
C54 N55 Gd64 O52 -88.5(6) . .
C60B N55 Gd64 O52 163.4(18) . .
C60A N55 Gd64 O131 83.1(10) . 1_554
C56 N55 Gd64 O131 -32.7(7) . 1_554
C54 N55 Gd64 O131 -153.6(5) . 1_554
C60B N55 Gd64 O131 98.3(18) . 1_554
C60A N55 Gd64 O58 72.8(9) . .
C56 N55 Gd64 O58 -43.0(5) . .
C54 N55 Gd64 O58 -163.9(7) . .
C60B N55 Gd64 O58 88.0(18) . .
C60A N55 Gd64 O63A -36.3(9) . .
C56 N55 Gd64 O63A -152.1(7) . .
C54 N55 Gd64 O63A 87.0(7) . .
C60B N55 Gd64 O63A -21.1(18) . .
C60A N55 Gd64 O132 19.1(9) . 1_554
C56 N55 Gd64 O132 -96.7(5) . 1_554
C54 N55 Gd64 O132 142.4(6) . 1_554
C60B N55 Gd64 O132 34.3(18) . 1_554
C60A N55 Gd64 O48B -89.7(17) . .
C56 N55 Gd64 O48B 154.4(16) . .
C54 N55 Gd64 O48B 33.5(17) . .
C60B N55 Gd64 O48B -75(2) . .
C60A N55 Gd64 N41 -140.8(9) . .
C56 N55 Gd64 N41 103.3(6) . .
C54 N55 Gd64 N41 -17.6(6) . .
C60B N55 Gd64 N41 -125.7(18) . .
C60A N55 Gd64 N45 -163.0(8) . .
C56 N55 Gd64 N45 81.2(6) . .
C54 N55 Gd64 N45 -39.7(8) . .
C60B N55 Gd64 N45 -147.8(18) . .
C60A N55 Gd64 C129 44.6(10) . 1_554
C56 N55 Gd64 C129 -71.2(6) . 1_554
C54 N55 Gd64 C129 167.9(5) . 1_554
C60B N55 Gd64 C129 59.8(18) . 1_554
C50 N45 Gd64 O48A 159.0(7) . .
C44 N45 Gd64 O48A -80.0(6) . .
C46 N45 Gd64 O48A 33.6(6) . .
C50 N45 Gd64 O63B -177.5(11) . .
C44 N45 Gd64 O63B -56.5(11) . .
C46 N45 Gd64 O63B 57.1(11) . .
C50 N45 Gd64 O52 -21.6(5) . .
C44 N45 Gd64 O52 99.4(6) . .
C46 N45 Gd64 O52 -147.0(6) . .
C50 N45 Gd64 O131 66.8(6) . 1_554
C44 N45 Gd64 O131 -172.2(6) . 1_554
C46 N45 Gd64 O131 -58.6(6) . 1_554
C50 N45 Gd64 O58 7.1(7) . .
C44 N45 Gd64 O58 128.1(5) . .
C46 N45 Gd64 O58 -118.3(6) . .
C50 N45 Gd64 O63A -164.0(6) . .
C44 N45 Gd64 O63A -43.0(7) . .
C46 N45 Gd64 O63A 70.5(7) . .
C50 N45 Gd64 O132 100.7(6) . 1_554
C44 N45 Gd64 O132 -138.3(5) . 1_554
C46 N45 Gd64 O132 -24.7(6) . 1_554
C50 N45 Gd64 O48B 152.4(12) . .
C44 N45 Gd64 O48B -86.6(12) . .
C46 N45 Gd64 O48B 26.9(12) . .
C50 N45 Gd64 N41 -99.2(6) . .
C44 N45 Gd64 N41 21.8(5) . .
C46 N45 Gd64 N41 135.4(6) . .
C50 N45 Gd64 N55 -77.2(7) . .
C44 N45 Gd64 N55 43.8(7) . .
C46 N45 Gd64 N55 157.4(6) . .
C50 N45 Gd64 C129 83.6(6) . 1_554
C44 N45 Gd64 C129 -155.4(5) . 1_554
C46 N45 Gd64 C129 -41.8(6) . 1_554
O73 Gd65 O66 C67 -1.1(7) . .
O88 Gd65 O66 C67 155.7(7) . .
O86 Gd65 O66 C67 -112.9(7) . .
O149 Gd65 O66 C67 69.6(6) . .
O136 Gd65 O66 C67 109.8(6) 1_656 .
N70 Gd65 O66 C67 -7.7(6) . .
N81 Gd65 O66 C67 -78.3(6) . .
N83 Gd65 O66 C67 -141.1(7) . .
Gd65 O66 C67 O68 177.9(6) . .
Gd65 O66 C67 C69 -5.7(11) . .
O68 C67 C69 N70 -158.1(7) . .
O66 C67 C69 N70 25.3(11) . .
C67 C69 N70 C75 90.1(8) . .
C67 C69 N70 C71 -148.7(7) . .
C67 C69 N70 Gd65 -28.7(8) . .
O66 Gd65 N70 C69 18.4(5) . .
O73 Gd65 N70 C69 -155.8(6) . .
O88 Gd65 N70 C69 -5.6(7) . .
O86 Gd65 N70 C69 159.0(5) . .
O149 Gd65 N70 C69 -62.9(5) . .
O136 Gd65 N70 C69 -115.3(5) 1_656 .
N81 Gd65 N70 C69 94.5(5) . .
N83 Gd65 N70 C69 82.3(6) . .
Na39 Gd65 N70 C69 -158.3(5) . .
O66 Gd65 N70 C75 -100.6(5) . .
O73 Gd65 N70 C75 85.2(5) . .
O88 Gd65 N70 C75 -124.6(5) . .
O86 Gd65 N70 C75 40.0(5) . .
O149 Gd65 N70 C75 178.1(5) . .
O136 Gd65 N70 C75 125.7(4) 1_656 .
N81 Gd65 N70 C75 -24.5(4) . .
N83 Gd65 N70 C75 -36.7(5) . .
Na39 Gd65 N70 C75 82.7(4) . .
O66 Gd65 N70 C71 140.7(6) . .
O73 Gd65 N70 C71 -33.6(5) . .
O88 Gd65 N70 C71 116.6(5) . .
O86 Gd65 N70 C71 -78.8(5) . .
O149 Gd65 N70 C71 59.3(5) . .
O136 Gd65 N70 C71 7.0(6) 1_656 .
N81 Gd65 N70 C71 -143.2(6) . .
N83 Gd65 N70 C71 -155.4(5) . .
Na39 Gd65 N70 C71 -36.1(5) . .
C69 N70 C71 C72 155.8(6) . .
C75 N70 C71 C72 -82.7(8) . .
Gd65 N70 C71 C72 36.3(7) . .
N70 C71 C72 O73 -14.4(10) . .
N70 C71 C72 O74 167.9(7) . .
O74 C72 O73 Gd65 156.0(6) . .
C71 C72 O73 Gd65 -21.6(9) . .
O74 C72 O73 Na39 13.1(12) . .
C71 C72 O73 Na39 -164.5(5) . .
O66 Gd65 O73 C72 23.9(7) . .
O88 Gd65 O73 C72 -108.4(7) . .
O86 Gd65 O73 C72 169.1(6) . .
O149 Gd65 O73 C72 -42.5(6) . .
O136 Gd65 O73 C72 -116.0(6) 1_656 .
N70 Gd65 O73 C72 30.7(5) . .
N81 Gd65 O73 C72 88.9(6) . .
N83 Gd65 O73 C72 146.8(6) . .
Na39 Gd65 O73 C72 -153.0(7) . .
O66 Gd65 O73 Na39 176.9(2) . .
O88 Gd65 O73 Na39 44.5(5) . .
O86 Gd65 O73 Na39 -37.96(19) . .
O149 Gd65 O73 Na39 110.5(2) . .
O136 Gd65 O73 Na39 37.0(2) 1_656 .
N70 Gd65 O73 Na39 -176.3(3) . .
N81 Gd65 O73 Na39 -118.1(2) . .
N83 Gd65 O73 Na39 -60.2(3) . .
O73 C72 O74 Na38 69.3(9) . 1_556
C71 C72 O74 Na38 -113.2(7) . 1_556
O73 C72 O74 Na42 -141.8(7) . 1_556
C71 C72 O74 Na42 35.8(10) . 1_556
C69 N70 C75 C76 -67.9(9) . .
C71 N70 C75 C76 168.9(7) . .
Gd65 N70 C75 C76 50.2(7) . .
N70 C75 C76 N81 -57.9(10) . .
N70 C75 C76 C77 120.3(9) . .
N81 C76 C77 C78 -0.2(14) . .
C75 C76 C77 C78 -178.2(8) . .
C76 C77 C78 C79 -0.7(14) . .
C76 C77 C78 C92 178.3(9) . .
C77 C78 C79 C80 -0.4(17) . .
C92 C78 C79 C80 -179.3(12) . .
C78 C79 C80 N81 2(2) . .
C78 C79 C80 C82 -165.8(12) . .
C77 C76 N81 C80 2.0(15) . .
C75 C76 N81 C80 -179.9(9) . .
C77 C76 N81 Gd65 -145.1(7) . .
C75 C76 N81 Gd65 33.0(9) . .
C79 C80 N81 C76 -2.9(17) . .
C82 C80 N81 C76 166.8(10) . .
C79 C80 N81 Gd65 144.0(10) . .
C82 C80 N81 Gd65 -46.3(13) . .
O66 Gd65 N81 C76 68.3(6) . .
O73 Gd65 N81 C76 -61.9(6) . .
O88 Gd65 N81 C76 127.9(6) . .
O86 Gd65 N81 C76 -131.1(6) . .
O149 Gd65 N81 C76 24.9(7) . .
O136 Gd65 N81 C76 -123.4(6) 1_656 .
N70 Gd65 N81 C76 -4.5(6) . .
N83 Gd65 N81 C76 164.5(7) . .
Na39 Gd65 N81 C76 -101.3(6) . .
O66 Gd65 N81 C80 -79.2(8) . .
O73 Gd65 N81 C80 150.6(8) . .
O88 Gd65 N81 C80 -19.6(8) . .
O86 Gd65 N81 C80 81.3(8) . .
O149 Gd65 N81 C80 -122.7(7) . .
O136 Gd65 N81 C80 89.1(8) 1_656 .
N70 Gd65 N81 C80 -152.0(8) . .
N83 Gd65 N81 C80 17.0(7) . .
Na39 Gd65 N81 C80 111.2(7) . .
N81 C80 C82 N83 55.6(13) . .
C79 C80 C82 N83 -135.9(13) . .
C80 C82 N83 C84 -156.6(9) . .
C80 C82 N83 C91 80.8(10) . .
C80 C82 N83 Gd65 -38.5(10) . .
O66 Gd65 N83 C84 -162.5(7) . .
O73 Gd65 N83 C84 58.7(7) . .
O88 Gd65 N83 C84 -87.3(7) . .
O86 Gd65 N83 C84 35.3(6) . .
O149 Gd65 N83 C84 -105.4(7) . .
O136 Gd65 N83 C84 -23.0(7) 1_656 .
N70 Gd65 N83 C84 142.3(6) . .
N81 Gd65 N83 C84 129.9(7) . .
Na39 Gd65 N83 C84 22.1(7) . .
O66 Gd65 N83 C91 -38.3(6) . .
O73 Gd65 N83 C91 -177.1(5) . .
O88 Gd65 N83 C91 36.9(6) . .
O86 Gd65 N83 C91 159.5(7) . .
O149 Gd65 N83 C91 18.8(7) . .
O136 Gd65 N83 C91 101.2(6) 1_656 .
N70 Gd65 N83 C91 -93.5(6) . .
N81 Gd65 N83 C91 -105.9(6) . .
Na39 Gd65 N83 C91 146.3(6) . .
O66 Gd65 N83 C82 79.2(6) . .
O73 Gd65 N83 C82 -59.6(7) . .
O88 Gd65 N83 C82 154.4(7) . .
O86 Gd65 N83 C82 -83.0(6) . .
O149 Gd65 N83 C82 136.3(6) . .
O136 Gd65 N83 C82 -141.3(6) 1_656 .
N70 Gd65 N83 C82 24.0(7) . .
N81 Gd65 N83 C82 11.6(6) . .
Na39 Gd65 N83 C82 -96.2(6) . .
C91 N83 C84 C85 -163.6(9) . .
C82 N83 C84 C85 79.6(10) . .
Gd65 N83 C84 C85 -43.1(9) . .
N83 C84 C85 O86 27.4(13) . .
N83 C84 C85 O87 -162.0(9) . .
O87 C85 O86 Gd65 -160.4(8) . .
C84 C85 O86 Gd65 9.0(11) . .
O87 C85 O86 Na39 -34.2(13) . .
C84 C85 O86 Na39 135.2(7) . .
O66 Gd65 O86 C85 -56.2(8) . .
O73 Gd65 O86 C85 174.3(7) . .
O88 Gd65 O86 C85 26.0(7) . .
O149 Gd65 O86 C85 120.0(7) . .
O136 Gd65 O86 C85 95.5(7) 1_656 .
N70 Gd65 O86 C85 -143.4(6) . .
N81 Gd65 O86 C85 -88.3(7) . .
N83 Gd65 O86 C85 -24.5(6) . .
Na39 Gd65 O86 C85 135.9(7) . .
O66 Gd65 O86 Na39 167.9(2) . .
O73 Gd65 O86 Na39 38.38(18) . .
O88 Gd65 O86 Na39 -109.9(2) . .
O149 Gd65 O86 Na39 -15.9(4) . .
O136 Gd65 O86 Na39 -40.43(19) 1_656 .
N70 Gd65 O86 Na39 80.7(2) . .
N81 Gd65 O86 Na39 135.8(2) . .
N83 Gd65 O86 Na39 -160.4(3) . .
O66 Gd65 O88 C90 69.8(9) . .
O73 Gd65 O88 C90 -147.0(8) . .
O86 Gd65 O88 C90 -73.7(9) . .
O149 Gd65 O88 C90 146.6(9) . .
O136 Gd65 O88 C90 -139.5(9) 1_656 .
N70 Gd65 O88 C90 92.4(10) . .
N81 Gd65 O88 C90 13.8(10) . .
N83 Gd65 O88 C90 -22.8(9) . .
Na39 Gd65 O88 C90 -116.3(9) . .
Gd65 O88 C90 O89 -171.7(11) . .
Gd65 O88 C90 C91 5.6(15) . .
Na43 O89 C90 O88 43(2) 2_767 .
Na43 O89 C90 C91 -134.8(10) 2_767 .
C84 N83 C91 C90 74.3(11) . .
C82 N83 C91 C90 -167.9(8) . .
Gd65 N83 C91 C90 -45.2(9) . .
O88 C90 C91 N83 30.4(14) . .
O89 C90 C91 N83 -152.1(12) . .
C96 C94 C95 C96 1(3) . 2_656
C93 C94 C95 C96 -177.6(15) . 2_656
C95 C94 C96 C95 -1(3) . 2_656
C93 C94 C96 C95 177.6(14) . 2_656
O106 Gd97 O98 C99 8.7(7) . .
O135 Gd97 O98 C99 -64.5(6) . .
O118 Gd97 O98 C99 -147.9(7) . .
O120 Gd97 O98 C99 141.2(7) . .
O137 Gd97 O98 C99 -93.5(7) . .
N113 Gd97 O98 C99 82.4(6) . .
N102 Gd97 O98 C99 10.8(6) . .
N115 Gd97 O98 C99 149.2(6) . .
C134 Gd97 O98 C99 -77.1(6) . .
Gd97 O98 C99 O100 -178.7(7) . .
Gd97 O98 C99 C101 1.1(11) . .
O100 C99 C101 N102 157.5(9) . .
O98 C99 C101 N102 -22.3(12) . .
C99 C101 N102 C107 -92.1(9) . .
C99 C101 N102 C103 147.6(8) . .
C99 C101 N102 Gd97 29.4(9) . .
O106 Gd97 N102 C101 157.1(7) . .
O98 Gd97 N102 C101 -21.2(6) . .
O135 Gd97 N102 C101 65.9(6) . .
O118 Gd97 N102 C101 7.7(8) . .
O120 Gd97 N102 C101 -164.3(6) . .
O137 Gd97 N102 C101 101.2(7) . .
N113 Gd97 N102 C101 -99.3(7) . .
N115 Gd97 N102 C101 -78.0(7) . .
C134 Gd97 N102 C101 83.1(7) . .
O106 Gd97 N102 C107 -83.5(7) . .
O98 Gd97 N102 C107 98.3(7) . .
O135 Gd97 N102 C107 -174.7(7) . .
O118 Gd97 N102 C107 127.1(6) . .
O120 Gd97 N102 C107 -44.9(8) . .
O137 Gd97 N102 C107 -139.3(7) . .
N113 Gd97 N102 C107 20.1(7) . .
N115 Gd97 N102 C107 41.4(8) . .
C134 Gd97 N102 C107 -157.5(7) . .
O106 Gd97 N102 C103 33.7(5) . .
O98 Gd97 N102 C103 -144.5(6) . .
O135 Gd97 N102 C103 -57.5(5) . .
O118 Gd97 N102 C103 -115.7(6) . .
O120 Gd97 N102 C103 72.3(6) . .
O137 Gd97 N102 C103 -22.1(6) . .
N113 Gd97 N102 C103 137.3(6) . .
N115 Gd97 N102 C103 158.6(5) . .
C134 Gd97 N102 C103 -40.3(5) . .
C101 N102 C103 C104 -151.6(8) . .
C107 N102 C103 C104 88.7(9) . .
Gd97 N102 C103 C104 -30.1(8) . .
N102 C103 C104 O106 0.1(14) . .
N102 C103 C104 O105 179.3(10) . .
O105 C104 O106 Gd97 -140.9(11) . .
C103 C104 O106 Gd97 38.2(14) . .
O98 Gd97 O106 C104 -37.8(10) . .
O135 Gd97 O106 C104 34.2(9) . .
O118 Gd97 O106 C104 95.1(10) . .
O120 Gd97 O106 C104 168.6(9) . .
O137 Gd97 O106 C104 88.6(9) . .
N113 Gd97 O106 C104 -102.7(9) . .
N102 Gd97 O106 C104 -40.0(9) . .
N115 Gd97 O106 C104 -159.6(8) . .
C134 Gd97 O106 C104 60.6(9) . .
C101 N102 C107 C108 77.7(10) . .
C103 N102 C107 C108 -158.7(8) . .
Gd97 N102 C107 C108 -43.8(10) . .
N102 C107 C108 N113 55.1(12) . .
N102 C107 C108 C109 -125.4(9) . .
N113 C108 C109 C110 0.3(15) . .
C107 C108 C109 C110 -179.2(9) . .
C108 C109 C110 C111 -3.4(15) . .
C108 C109 C110 C124 -177.0(11) . .
C109 C110 C111 C112 5.5(15) . .
C124 C110 C111 C112 178.8(12) . .
C110 C111 C112 N113 -4.5(14) . .
C110 C111 C112 C114 176.6(10) . .
C109 C108 N113 C112 0.5(13) . .
C107 C108 N113 C112 -180.0(8) . .
C109 C108 N113 Gd97 144.4(8) . .
C107 C108 N113 Gd97 -36.1(10) . .
C111 C112 N113 C108 1.6(12) . .
C114 C112 N113 C108 -179.5(9) . .
C111 C112 N113 Gd97 -142.2(7) . .
C114 C112 N113 Gd97 36.7(10) . .
O106 Gd97 N113 C108 68.9(7) . .
O98 Gd97 N113 C108 -65.1(6) . .
O135 Gd97 N113 C108 -13.3(8) . .
O118 Gd97 N113 C108 -121.4(6) . .
O120 Gd97 N113 C108 145.0(7) . .
O137 Gd97 N113 C108 104.7(9) . .
N102 Gd97 N113 C108 7.5(6) . .
N115 Gd97 N113 C108 -154.3(7) . .
C134 Gd97 N113 C108 14.3(10) . .
O106 Gd97 N113 C112 -145.8(6) . .
O98 Gd97 N113 C112 80.3(6) . .
O135 Gd97 N113 C112 132.0(6) . .
O118 Gd97 N113 C112 23.9(7) . .
O120 Gd97 N113 C112 -69.6(6) . .
O137 Gd97 N113 C112 -110.0(9) . .
N102 Gd97 N113 C112 152.9(7) . .
N115 Gd97 N113 C112 -8.9(6) . .
C134 Gd97 N113 C112 159.7(6) . .
N113 C112 C114 N115 -54.6(13) . .
C111 C112 C114 N115 124.3(10) . .
C112 C114 N115 C123 161.9(11) . .
C112 C114 N115 C116 -74.5(12) . .
C112 C114 N115 Gd97 41.5(11) . .
O106 Gd97 N115 C123 -69.9(8) . .
O98 Gd97 N115 C123 150.3(8) . .
O135 Gd97 N115 C123 87.5(8) . .
O118 Gd97 N115 C123 75.7(7) . .
O120 Gd97 N115 C123 -34.9(7) . .
O137 Gd97 N115 C123 22.2(8) . .
N113 Gd97 N115 C123 -137.1(8) . .
N102 Gd97 N115 C123 -158.5(7) . .
C134 Gd97 N115 C123 48.4(8) . .
O106 Gd97 N115 C116 171.8(5) . .
O98 Gd97 N115 C116 32.0(6) . .
O135 Gd97 N115 C116 -30.8(7) . .
O118 Gd97 N115 C116 -42.6(5) . .
O120 Gd97 N115 C116 -153.2(6) . .
O137 Gd97 N115 C116 -96.1(6) . .
N113 Gd97 N115 C116 104.6(6) . .
N102 Gd97 N115 C116 83.2(6) . .
C134 Gd97 N115 C116 -69.9(6) . .
O106 Gd97 N115 C114 51.0(8) . .
O98 Gd97 N115 C114 -88.8(7) . .
O135 Gd97 N115 C114 -151.6(6) . .
O118 Gd97 N115 C114 -163.4(7) . .
O120 Gd97 N115 C114 86.0(7) . .
O137 Gd97 N115 C114 143.1(6) . .
N113 Gd97 N115 C114 -16.3(6) . .
N102 Gd97 N115 C114 -37.7(8) . .
C134 Gd97 N115 C114 169.2(6) . .
C123 N115 C116 C117 -77.0(10) . .
C114 N115 C116 C117 159.3(8) . .
Gd97 N115 C116 C117 40.9(8) . .
N115 C116 C117 O119 170.0(8) . .
N115 C116 C117 O118 -7.9(12) . .
O119 C117 O118 Gd97 144.7(8) . .
C116 C117 O118 Gd97 -37.5(11) . .
O106 Gd97 O118 C117 168.6(7) . .
O98 Gd97 O118 C117 -46.6(7) . .
O135 Gd97 O118 C117 -129.8(7) . .
O120 Gd97 O118 C117 99.7(7) . .
O137 Gd97 O118 C117 175.1(7) . .
N113 Gd97 O118 C117 8.9(7) . .
N102 Gd97 O118 C117 -74.3(7) . .
N115 Gd97 O118 C117 42.9(6) . .
C134 Gd97 O118 C117 -156.8(7) . .
O118 C117 O119 Na40 -7.2(14) . 1_455
C116 C117 O119 Na40 174.9(6) . 1_455
O118 C117 O119 Na45 -148.5(8) . 1_455
C116 C117 O119 Na45 33.6(11) . 1_455
O106 Gd97 O120 C122 -180.0(7) . .
O98 Gd97 O120 C122 34.8(9) . .
O135 Gd97 O120 C122 -110.8(7) . .
O118 Gd97 O120 C122 -29.7(7) . .
O137 Gd97 O120 C122 -103.7(7) . .
N113 Gd97 O120 C122 88.6(7) . .
N102 Gd97 O120 C122 144.6(7) . .
N115 Gd97 O120 C122 26.0(7) . .
C134 Gd97 O120 C122 -107.0(7) . .
Na'5 O121 C122 O120 -106.4(12) 1_444 .
Na'5 O121 C122 C123 69.2(14) 1_444 .
Gd97 O120 C122 O121 159.8(8) . .
Gd97 O120 C122 C123 -15.9(13) . .
C116 N115 C123 C122 154.7(9) . .
C114 N115 C123 C122 -80.3(12) . .
Gd97 N115 C123 C122 39.7(10) . .
O121 C122 C123 N115 165.4(11) . .
O120 C122 C123 N115 -19.3(15) . .
C128 C126 C127 C128 2(5) 2_666 .
C125 C126 C127 C128 -175(3) . .
C1B7 C126 C127 C128 86(4) . .
C1B8 C126 C127 C128 -49(5) 2_666 .
C126 C127 C128 C126 -2(5) . 2_666
C128 C126 C1B7 C1B8 60(5) 2_666 .
C127 C126 C1B7 C1B8 -60(4) . .
C125 C126 C1B7 C1B8 -171(3) . .
C1B8 C126 C1B7 C1B8 14(8) 2_666 .
C126 C1B7 C1B8 C126 -12(6) . 2_666
O131 C129 O130 Gd1 -177.3(5) . .
O132 C129 O130 Gd1 0.1(14) . .
O131 C129 O130 Na38 -60.2(9) . 1_556
O132 C129 O130 Na38 117.2(7) . 1_556
O9 Gd1 O130 C129 -45.4(10) . .
O2 Gd1 O130 C129 84.9(9) . .
O24 Gd1 O130 C129 -89.9(9) . .
O22 Gd1 O130 C129 159.1(9) . .
O133 Gd1 O130 C129 -4.2(8) . .
N17 Gd1 O130 C129 152.9(8) . .
N19 Gd1 O130 C129 -146.1(8) . .
N6 Gd1 O130 C129 48.4(9) . .
Na38 Gd1 O130 C129 121.3(9) 1_556 .
O9 Gd1 O130 Na38 -166.7(2) . 1_556
O2 Gd1 O130 Na38 -36.37(19) . 1_556
O24 Gd1 O130 Na38 148.8(3) . 1_556
O22 Gd1 O130 Na38 37.83(17) . 1_556
O133 Gd1 O130 Na38 -125.4(2) . 1_556
N17 Gd1 O130 Na38 31.6(5) . 1_556
N19 Gd1 O130 Na38 92.6(2) . 1_556
N6 Gd1 O130 Na38 -72.9(3) . 1_556
O130 C129 O131 Gd64 -179.5(7) . 1_556
O132 C129 O131 Gd64 2.9(8) . 1_556
O131 C129 O132 Gd64 -2.7(7) . 1_556
O130 C129 O132 Gd64 179.7(7) . 1_556
O106 Gd97 C134 O135 -101.5(5) . .
O98 Gd97 C134 O135 28.4(5) . .
O118 Gd97 C134 O135 96.0(4) . .
O120 Gd97 C134 O135 -173.6(5) . .
O137 Gd97 C134 O135 179.4(7) . .
N113 Gd97 C134 O135 -44.9(8) . .
N102 Gd97 C134 O135 -38.7(4) . .
N115 Gd97 C134 O135 120.5(5) . .
O106 Gd97 C134 O137 79.1(5) . .
O98 Gd97 C134 O137 -151.0(5) . .
O135 Gd97 C134 O137 -179.4(7) . .
O118 Gd97 C134 O137 -83.4(5) . .
O120 Gd97 C134 O137 7.0(6) . .
N113 Gd97 C134 O137 135.7(6) . .
N102 Gd97 C134 O137 142.0(5) . .
N115 Gd97 C134 O137 -58.9(6) . .
O106 Gd97 C134 Na39 -160.8(4) . 1_454
O98 Gd97 C134 Na39 -30.9(4) . 1_454
O135 Gd97 C134 Na39 -59.3(4) . 1_454
O118 Gd97 C134 Na39 36.6(4) . 1_454
O120 Gd97 C134 Na39 127.1(4) . 1_454
O137 Gd97 C134 Na39 120.0(7) . 1_454
N113 Gd97 C134 Na39 -104.2(6) . 1_454
N102 Gd97 C134 Na39 -98.0(4) . 1_454
N115 Gd97 C134 Na39 61.1(5) . 1_454
O136 C134 O135 Gd97 -178.9(6) . .
O137 C134 O135 Gd97 0.6(7) . .
Na39 C134 O135 Gd97 138.3(2) 1_454 .
O106 Gd97 O135 C134 74.1(5) . .
O98 Gd97 O135 C134 -152.2(4) . .
O118 Gd97 O135 C134 -78.7(4) . .
O120 Gd97 O135 C134 8.2(6) . .
O137 Gd97 O135 C134 -0.4(4) . .
N113 Gd97 O135 C134 159.2(4) . .
N102 Gd97 O135 C134 139.3(5) . .
N115 Gd97 O135 C134 -89.3(5) . .
O135 C134 O136 Gd65 177.7(5) . 1_454
O137 C134 O136 Gd65 -1.8(12) . 1_454
Na39 C134 O136 Gd65 -119.0(8) 1_454 1_454
O135 C134 O136 Na39 -63.3(8) . 1_454
O137 C134 O136 Na39 117.2(7) . 1_454
O136 C134 O137 Gd97 178.9(7) . .
O135 C134 O137 Gd97 -0.6(7) . .
Na39 C134 O137 Gd97 -118.5(5) 1_454 .
O106 Gd97 O137 C134 -93.8(5) . .
O98 Gd97 O137 C134 36.4(6) . .
O135 Gd97 O137 C134 0.3(4) . .
O118 Gd97 O137 C134 89.7(5) . .
O120 Gd97 O137 C134 -173.0(6) . .
N113 Gd97 O137 C134 -131.3(7) . .
N102 Gd97 O137 C134 -42.7(5) . .
N115 Gd97 O137 C134 136.7(5) . .
C3 O4 Na39 O150 166.1(5) . .
Na41 O4 Na39 O150 15.6(3) . .
C3 O4 Na39 O146 -110.3(5) . 1_556
Na41 O4 Na39 O146 99.2(3) . 1_556
C3 O4 Na39 O86 44.3(6) . .
Na41 O4 Na39 O86 -106.3(3) . .
C3 O4 Na39 O73 -26.0(6) . .
Na41 O4 Na39 O73 -176.5(3) . .
C3 O4 Na39 O136 41.2(13) . 1_656
Na41 O4 Na39 O136 -109.3(10) . 1_656
Na41 O4 Na39 C3 -150.5(7) . .
C3 O4 Na39 Gd65 12.1(6) . .
Na41 O4 Na39 Gd65 -138.4(2) . .
C3 O4 Na39 Na41 150.5(7) . .
C3 O4 Na39 Na40 -125.6(6) . 1_556
Na41 O4 Na39 Na40 83.8(3) . 1_556
C85 O86 Na39 O4 82.9(7) . .
Gd65 O86 Na39 O4 -139.2(2) . .
C85 O86 Na39 O150 -22.2(8) . .
Gd65 O86 Na39 O150 115.7(3) . .
C85 O86 Na39 O146 -154.7(7) . 1_556
Gd65 O86 Na39 O146 -16.8(5) . 1_556
C85 O86 Na39 O73 -175.7(7) . .
Gd65 O86 Na39 O73 -37.81(18) . .
C85 O86 Na39 O136 -97.8(7) . 1_656
Gd65 O86 Na39 O136 40.04(18) . 1_656
C85 O86 Na39 C3 97.7(7) . .
Gd65 O86 Na39 C3 -124.4(2) . .
C85 O86 Na39 C134 -95.9(7) . 1_656
Gd65 O86 Na39 C134 42.0(2) . 1_656
C85 O86 Na39 Gd65 -137.9(7) . .
C85 O86 Na39 Na41 46.3(7) . .
Gd65 O86 Na39 Na41 -175.82(16) . .
C85 O86 Na39 Na40 133.4(9) . 1_556
Gd65 O86 Na39 Na40 -88.8(8) . 1_556
C72 O73 Na39 O4 -80.0(7) . .
Gd65 O73 Na39 O4 130.2(2) . .
C72 O73 Na39 O150 71.4(9) . .
Gd65 O73 Na39 O150 -78.3(6) . .
C72 O73 Na39 O146 18.3(7) . 1_556
Gd65 O73 Na39 O146 -131.5(2) . 1_556
C72 O73 Na39 O86 -172.1(7) . .
Gd65 O73 Na39 O86 38.10(19) . .
C72 O73 Na39 O136 113.0(7) . 1_656
Gd65 O73 Na39 O136 -36.77(19) . 1_656
C72 O73 Na39 C3 -89.2(7) . .
Gd65 O73 Na39 C3 121.1(2) . .
C72 O73 Na39 C134 91.4(7) . 1_656
Gd65 O73 Na39 C134 -58.3(2) . 1_656
C72 O73 Na39 Gd65 149.7(8) . .
C72 O73 Na39 Na41 -83.3(7) . .
Gd65 O73 Na39 Na41 127.0(3) . .
C72 O73 Na39 Na40 -2.2(7) . 1_556
Gd65 O73 Na39 Na40 -151.98(15) . 1_556
O2 C3 Na39 O4 -125.8(8) . .
C5 C3 Na39 O4 95.8(9) . .
O4 C3 Na39 O150 -15.9(6) . .
O2 C3 Na39 O150 -141.7(4) . .
C5 C3 Na39 O150 80.0(7) . .
O4 C3 Na39 O146 74.4(6) . 1_556
O2 C3 Na39 O146 -51.4(5) . 1_556
C5 C3 Na39 O146 170.2(6) . 1_556
O4 C3 Na39 O86 -135.4(6) . .
O2 C3 Na39 O86 98.7(5) . .
C5 C3 Na39 O86 -39.6(6) . .
O4 C3 Na39 O73 154.6(6) . .
O2 C3 Na39 O73 28.8(4) . .
C5 C3 Na39 O73 -109.6(7) . .
O4 C3 Na39 O136 -163.5(5) . 1_656
O2 C3 Na39 O136 70.7(6) . 1_656
C5 C3 Na39 O136 -67.6(8) . 1_656
O4 C3 Na39 C134 156.9(9) . 1_656
O2 C3 Na39 C134 31.0(11) . 1_656
C5 C3 Na39 C134 -107.3(10) . 1_656
O4 C3 Na39 Gd65 -169.8(5) . .
O2 C3 Na39 Gd65 64.4(4) . .
C5 C3 Na39 Gd65 -74.0(7) . .
O4 C3 Na39 Na41 -20.8(5) . .
O2 C3 Na39 Na41 -146.6(5) . .
C5 C3 Na39 Na41 75.0(6) . .
O4 C3 Na39 Na40 51.9(5) . 1_556
O2 C3 Na39 Na40 -73.9(4) . 1_556
C5 C3 Na39 Na40 147.7(6) . 1_556
O73 Gd65 Na39 O4 -66.2(3) . .
O88 Gd65 Na39 O4 136.9(3) . .
O86 Gd65 Na39 O4 53.0(3) . .
O149 Gd65 Na39 O4 -137.3(2) . .
O136 Gd65 Na39 O4 170.5(3) 1_656 .
N70 Gd65 Na39 O4 -62.8(3) . .
N81 Gd65 Na39 O4 5.0(3) . .
N83 Gd65 Na39 O4 71.0(3) . .
O73 Gd65 Na39 O150 147.3(3) . .
O88 Gd65 Na39 O150 -9.6(3) . .
O86 Gd65 Na39 O150 -93.5(3) . .
O149 Gd65 Na39 O150 76.2(3) . .
O136 Gd65 Na39 O150 24.0(3) 1_656 .
N70 Gd65 Na39 O150 150.7(3) . .
N81 Gd65 Na39 O150 -141.5(3) . .
N83 Gd65 Na39 O150 -75.6(3) . .
O73 Gd65 Na39 O146 51.9(2) . 1_556
O88 Gd65 Na39 O146 -104.9(3) . 1_556
O86 Gd65 Na39 O146 171.2(3) . 1_556
O149 Gd65 Na39 O146 -19.1(2) . 1_556
O136 Gd65 Na39 O146 -71.4(3) 1_656 1_556
N70 Gd65 Na39 O146 55.4(2) . 1_556
N81 Gd65 Na39 O146 123.2(2) . 1_556
N83 Gd65 Na39 O146 -170.9(2) . 1_556
O73 Gd65 Na39 O86 -119.2(3) . .
O88 Gd65 Na39 O86 83.9(3) . .
O149 Gd65 Na39 O86 169.7(2) . .
O136 Gd65 Na39 O86 117.5(3) 1_656 .
N70 Gd65 Na39 O86 -115.8(2) . .
N81 Gd65 Na39 O86 -48.0(3) . .
N83 Gd65 Na39 O86 18.0(3) . .
O88 Gd65 Na39 O73 -156.9(3) . .
O86 Gd65 Na39 O73 119.2(3) . .
O149 Gd65 Na39 O73 -71.1(3) . .
O136 Gd65 Na39 O73 -123.3(3) 1_656 .
N70 Gd65 Na39 O73 3.4(3) . .
N81 Gd65 Na39 O73 71.2(3) . .
N83 Gd65 Na39 O73 137.2(3) . .
O73 Gd65 Na39 O136 123.3(3) . 1_656
O88 Gd65 Na39 O136 -33.6(3) . 1_656
O86 Gd65 Na39 O136 -117.5(3) . 1_656
O149 Gd65 Na39 O136 52.2(2) . 1_656
N70 Gd65 Na39 O136 126.7(3) . 1_656
N81 Gd65 Na39 O136 -165.5(3) . 1_656
N83 Gd65 Na39 O136 -99.5(3) . 1_656
O73 Gd65 Na39 C3 -61.7(3) . .
O88 Gd65 Na39 C3 141.4(3) . .
O86 Gd65 Na39 C3 57.5(2) . .
O149 Gd65 Na39 C3 -132.8(2) . .
O136 Gd65 Na39 C3 175.0(3) 1_656 .
N70 Gd65 Na39 C3 -58.3(2) . .
N81 Gd65 Na39 C3 9.5(2) . .
N83 Gd65 Na39 C3 75.5(2) . .
O73 Gd65 Na39 C134 109.3(3) . 1_656
O88 Gd65 Na39 C134 -47.6(3) . 1_656
O86 Gd65 Na39 C134 -131.5(3) . 1_656
O149 Gd65 Na39 C134 38.2(2) . 1_656
O136 Gd65 Na39 C134 -14.0(3) 1_656 1_656
N70 Gd65 Na39 C134 112.7(2) . 1_656
N81 Gd65 Na39 C134 -179.5(2) . 1_656
N83 Gd65 Na39 C134 -113.6(2) . 1_656
O73 Gd65 Na39 Na41 -112.0(3) . .
O88 Gd65 Na39 Na41 91.2(3) . .
O86 Gd65 Na39 Na41 7.3(3) . .
O149 Gd65 Na39 Na41 177.0(3) . .
O136 Gd65 Na39 Na41 124.8(3) 1_656 .
N70 Gd65 Na39 Na41 -108.5(3) . .
N81 Gd65 Na39 Na41 -40.7(3) . .
N83 Gd65 Na39 Na41 25.2(3) . .
O73 Gd65 Na39 Na40 42.0(2) . 1_556
O88 Gd65 Na39 Na40 -114.8(2) . 1_556
O86 Gd65 Na39 Na40 161.3(3) . 1_556
O149 Gd65 Na39 Na40 -29.03(19) . 1_556
O136 Gd65 Na39 Na40 -81.2(2) 1_656 1_556
N70 Gd65 Na39 Na40 45.5(2) . 1_556
N81 Gd65 Na39 Na40 113.3(2) . 1_556
N83 Gd65 Na39 Na40 179.2(2) . 1_556
C57 O59 Na40 O154 -80.5(9) . .
C57 O59 Na40 O152 112.1(9) . .
C57 O59 Na40 O147 6.8(9) . .
C57 O59 Na40 O119 -159.9(8) . 1_655
C57 O59 Na40 O146 53.4(11) . .
C57 O59 Na40 Na45 -168.5(9) . .
C57 O59 Na40 Na38 -9.7(9) . .
C57 O59 Na40 Na39 57.7(9) . 1_554
O74 Na38 Na40 O154 -89.4(3) 1_554 .
O148 Na38 Na40 O154 19.8(3) . .
O147 Na38 Na40 O154 124.5(4) . .
O22 Na38 Na40 O154 -140.5(8) 1_554 .
O2 Na38 Na40 O154 170.8(3) 1_554 .
O130 Na38 Na40 O154 96.7(3) 1_554 .
Gd1 Na38 Na40 O154 145.2(3) 1_554 .
Na42 Na38 Na40 O154 -51.6(3) . .
O74 Na38 Na40 O152 95.4(3) 1_554 .
O148 Na38 Na40 O152 -155.4(3) . .
O147 Na38 Na40 O152 -50.6(4) . .
O22 Na38 Na40 O152 44.3(9) 1_554 .
O2 Na38 Na40 O152 -4.3(3) 1_554 .
O130 Na38 Na40 O152 -78.5(3) 1_554 .
Gd1 Na38 Na40 O152 -30.0(3) 1_554 .
Na42 Na38 Na40 O152 133.2(3) . .
O74 Na38 Na40 O147 146.1(3) 1_554 .
O148 Na38 Na40 O147 -104.7(3) . .
O22 Na38 Na40 O147 94.9(9) 1_554 .
O2 Na38 Na40 O147 46.3(3) 1_554 .
O130 Na38 Na40 O147 -27.8(3) 1_554 .
Gd1 Na38 Na40 O147 20.7(3) 1_554 .
Na42 Na38 Na40 O147 -176.1(3) . .
O74 Na38 Na40 O119 -31.5(3) 1_554 1_655
O148 Na38 Na40 O119 77.7(3) . 1_655
O147 Na38 Na40 O119 -177.6(4) . 1_655
O22 Na38 Na40 O119 -82.6(9) 1_554 1_655
O2 Na38 Na40 O119 -131.3(3) 1_554 1_655
O130 Na38 Na40 O119 154.6(3) 1_554 1_655
Gd1 Na38 Na40 O119 -156.9(2) 1_554 1_655
Na42 Na38 Na40 O119 6.3(3) . 1_655
O74 Na38 Na40 O146 27.8(2) 1_554 .
O148 Na38 Na40 O146 137.0(3) . .
O147 Na38 Na40 O146 -118.3(4) . .
O22 Na38 Na40 O146 -23.4(8) 1_554 .
O2 Na38 Na40 O146 -72.0(2) 1_554 .
O130 Na38 Na40 O146 -146.1(2) 1_554 .
Gd1 Na38 Na40 O146 -97.6(2) 1_554 .
Na42 Na38 Na40 O146 65.6(2) . .
O74 Na38 Na40 O59 -177.3(3) 1_554 .
O148 Na38 Na40 O59 -68.1(3) . .
O147 Na38 Na40 O59 36.6(3) . .
O22 Na38 Na40 O59 131.5(8) 1_554 .
O2 Na38 Na40 O59 82.9(3) 1_554 .
O130 Na38 Na40 O59 8.8(3) 1_554 .
Gd1 Na38 Na40 O59 57.3(2) 1_554 .
Na42 Na38 Na40 O59 -139.6(2) . .
O74 Na38 Na40 Na45 -79.3(5) 1_554 .
O148 Na38 Na40 Na45 29.9(5) . .
O147 Na38 Na40 Na45 134.7(6) . .
O22 Na38 Na40 Na45 -130.4(9) 1_554 .
O2 Na38 Na40 Na45 -179.0(5) 1_554 .
O130 Na38 Na40 Na45 106.8(5) 1_554 .
Gd1 Na38 Na40 Na45 155.3(5) 1_554 .
Na42 Na38 Na40 Na45 -41.5(5) . .
O74 Na38 Na40 Na39 59.66(16) 1_554 1_554
O148 Na38 Na40 Na39 168.9(2) . 1_554
O147 Na38 Na40 Na39 -86.4(3) . 1_554
O22 Na38 Na40 Na39 8.5(8) 1_554 1_554
O2 Na38 Na40 Na39 -40.11(15) 1_554 1_554
O130 Na38 Na40 Na39 -114.23(18) 1_554 1_554
Gd1 Na38 Na40 Na39 -65.74(12) 1_554 1_554
Na42 Na38 Na40 Na39 97.45(14) . 1_554
C3 O4 Na41 O158 15.8(11) . .
Na39 O4 Na41 O158 162.1(8) . .
C3 O4 Na41 O162 120.0(6) . .
Na39 O4 Na41 O162 -93.6(4) . .
C3 O4 Na41 O151 -100.7(6) . .
Na39 O4 Na41 O151 45.7(4) . .
C3 O4 Na41 O153 56.8(6) . .
Na39 O4 Na41 O153 -156.8(4) . .
C3 O4 Na41 Na44 34.8(7) . .
Na39 O4 Na41 Na44 -178.8(2) . .
C3 O4 Na41 Na39 -146.4(7) . .
O4 Na39 Na41 O158 -91(2) . .
O150 Na39 Na41 O158 106(2) . .
O146 Na39 Na41 O158 -179(2) 1_556 .
O86 Na39 Na41 O158 -10(2) . .
O73 Na39 Na41 O158 -85(2) . .
O136 Na39 Na41 O158 67(2) 1_656 .
C3 Na39 Na41 O158 -78(2) . .
C134 Na39 Na41 O158 103(2) 1_656 .
Gd65 Na39 Na41 O158 -15(2) . .
Na40 Na39 Na41 O158 -177(2) 1_556 .
O4 Na39 Na41 O162 97.9(5) . .
O150 Na39 Na41 O162 -64.9(4) . .
O146 Na39 Na41 O162 9.3(4) 1_556 .
O86 Na39 Na41 O162 178.7(4) . .
O73 Na39 Na41 O162 103.2(5) . .
O136 Na39 Na41 O162 -104.8(5) 1_656 .
C3 Na39 Na41 O162 110.3(4) . .
C134 Na39 Na41 O162 -68.8(5) 1_656 .
Gd65 Na39 Na41 O162 173.7(4) . .
Na40 Na39 Na41 O162 11.9(4) 1_556 .
O4 Na39 Na41 O151 -133.3(4) . .
O150 Na39 Na41 O151 63.9(3) . .
O146 Na39 Na41 O151 138.1(3) 1_556 .
O86 Na39 Na41 O151 -52.5(3) . .
O73 Na39 Na41 O151 -128.0(3) . .
O136 Na39 Na41 O151 24.0(5) 1_656 .
C3 Na39 Na41 O151 -120.9(3) . .
C134 Na39 Na41 O151 60.0(4) 1_656 .
Gd65 Na39 Na41 O151 -57.5(4) . .
Na40 Na39 Na41 O151 140.7(3) 1_556 .
O150 Na39 Na41 O4 -162.9(4) . .
O146 Na39 Na41 O4 -88.6(3) 1_556 .
O86 Na39 Na41 O4 80.8(3) . .
O73 Na39 Na41 O4 5.3(4) . .
O136 Na39 Na41 O4 157.3(4) 1_656 .
C3 Na39 Na41 O4 12.4(3) . .
C134 Na39 Na41 O4 -166.7(4) 1_656 .
Gd65 Na39 Na41 O4 75.8(3) . .
Na40 Na39 Na41 O4 -86.1(3) 1_556 .
O4 Na39 Na41 O153 24.0(4) . .
O150 Na39 Na41 O153 -138.9(4) . .
O146 Na39 Na41 O153 -64.6(4) 1_556 .
O86 Na39 Na41 O153 104.8(4) . .
O73 Na39 Na41 O153 29.3(5) . .
O136 Na39 Na41 O153 -178.8(4) 1_656 .
C3 Na39 Na41 O153 36.4(4) . .
C134 Na39 Na41 O153 -142.8(4) 1_656 .
Gd65 Na39 Na41 O153 99.8(4) . .
Na40 Na39 Na41 O153 -62.1(4) 1_556 .
O4 Na39 Na41 Na44 2.0(4) . .
O150 Na39 Na41 Na44 -160.8(6) . .
O146 Na39 Na41 Na44 -86.5(5) 1_556 .
O86 Na39 Na41 Na44 82.8(5) . .
O73 Na39 Na41 Na44 7.3(7) . .
O136 Na39 Na41 Na44 159.3(4) 1_656 .
C3 Na39 Na41 Na44 14.4(4) . .
C134 Na39 Na41 Na44 -164.7(4) 1_656 .
Gd65 Na39 Na41 Na44 77.9(6) . .
Na40 Na39 Na41 Na44 -84.0(5) 1_556 .
O74 Na38 Na42 O161 -122(2) 1_554 .
O148 Na38 Na42 O161 71(2) . .
O147 Na38 Na42 O161 146(2) . .
O22 Na38 Na42 O161 -45(2) 1_554 .
O2 Na38 Na42 O161 -122(2) 1_554 .
O130 Na38 Na42 O161 28(2) 1_554 .
Gd1 Na38 Na42 O161 -53(2) 1_554 .
Na40 Na38 Na42 O161 148(2) . .
O74 Na38 Na42 O155 -127.7(5) 1_554 .
O148 Na38 Na42 O155 65.5(3) . .
O147 Na38 Na42 O155 139.9(3) . .
O22 Na38 Na42 O155 -51.2(3) 1_554 .
O2 Na38 Na42 O155 -127.7(4) 1_554 .
O130 Na38 Na42 O155 22.3(5) 1_554 .
Gd1 Na38 Na42 O155 -58.7(4) 1_554 .
Na40 Na38 Na42 O155 141.8(3) . .
O148 Na38 Na42 O74 -166.8(4) . 1_554
O147 Na38 Na42 O74 -92.4(3) . 1_554
O22 Na38 Na42 O74 76.5(3) 1_554 1_554
O2 Na38 Na42 O74 0.0(4) 1_554 1_554
O130 Na38 Na42 O74 150.0(4) 1_554 1_554
Gd1 Na38 Na42 O74 69.0(4) 1_554 1_554
Na40 Na38 Na42 O74 -90.5(3) . 1_554
O74 Na38 Na42 O170 106.9(6) 1_554 .
O148 Na38 Na42 O170 -60.0(5) . .
O147 Na38 Na42 O170 14.5(5) . .
O22 Na38 Na42 O170 -176.6(5) 1_554 .
O2 Na38 Na42 O170 106.8(5) 1_554 .
O130 Na38 Na42 O170 -103.1(6) 1_554 .
Gd1 Na38 Na42 O170 175.9(4) 1_554 .
Na40 Na38 Na42 O170 16.4(5) . .
O74 Na38 Na42 O163 27.2(3) 1_554 .
O148 Na38 Na42 O163 -139.6(4) . .
O147 Na38 Na42 O163 -65.2(4) . .
O22 Na38 Na42 O163 103.8(3) 1_554 .
O2 Na38 Na42 O163 27.2(5) 1_554 .
O130 Na38 Na42 O163 177.3(3) 1_554 .
Gd1 Na38 Na42 O163 96.3(4) 1_554 .
Na40 Na38 Na42 O163 -63.3(3) . .
O74 Na38 Na42 Na'5 7.6(7) 1_554 1_544
O148 Na38 Na42 Na'5 -159.3(8) . 1_544
O147 Na38 Na42 Na'5 -84.8(8) . 1_544
O22 Na38 Na42 Na'5 84.1(8) 1_554 1_544
O2 Na38 Na42 Na'5 7.5(9) 1_554 1_544
O130 Na38 Na42 Na'5 157.6(7) 1_554 1_544
Gd1 Na38 Na42 Na'5 76.6(8) 1_554 1_544
Na40 Na38 Na42 Na'5 -82.9(8) . 1_544
O162 Na41 Na44 O158 94.0(7) . .
O151 Na41 Na44 O158 -38.7(7) . .
O4 Na41 Na44 O158 -160.4(7) . .
O153 Na41 Na44 O158 166.0(8) . .
Na39 Na41 Na44 O158 -161.6(8) . .
O158 Na41 Na44 O173 97.8(8) . .
O162 Na41 Na44 O173 -168.1(6) . .
O151 Na41 Na44 O173 59.1(7) . .
O4 Na41 Na44 O173 -62.5(6) . .
O153 Na41 Na44 O173 -96.2(7) . .
Na39 Na41 Na44 O173 -63.8(7) . .
O158 Na41 Na44 O153 -166.0(8) . .
O162 Na41 Na44 O153 -72.0(6) . .
O151 Na41 Na44 O153 155.3(6) . .
O4 Na41 Na44 O153 33.6(5) . .
Na39 Na41 Na44 O153 32.4(6) . .
O158 Na41 Na44 O159 11.2(8) . .
O162 Na41 Na44 O159 105.2(6) . .
O151 Na41 Na44 O159 -27.5(7) . .
O4 Na41 Na44 O159 -149.2(5) . .
O153 Na41 Na44 O159 177.2(7) . .
Na39 Na41 Na44 O159 -150.4(5) . .
O158 Na41 Na44 O62A -119.4(9) . 1_556
O162 Na41 Na44 O62A -25.4(7) . 1_556
O151 Na41 Na44 O62A -158.1(7) . 1_556
O4 Na41 Na44 O62A 80.2(7) . 1_556
O153 Na41 Na44 O62A 46.6(7) . 1_556
Na39 Na41 Na44 O62A 79.0(8) . 1_556
O158 Na41 Na44 O62B -141.3(12) . 1_556
O162 Na41 Na44 O62B -47.3(10) . 1_556
O151 Na41 Na44 O62B 180.0(10) . 1_556
O4 Na41 Na44 O62B 58.3(10) . 1_556
O153 Na41 Na44 O62B 24.7(10) . 1_556
Na39 Na41 Na44 O62B 57.1(11) . 1_556
O158 Na41 Na44 Na43 -20.1(6) . .
O162 Na41 Na44 Na43 74.0(4) . .
O151 Na41 Na44 Na43 -58.8(4) . .
O4 Na41 Na44 Na43 179.6(3) . .
O153 Na41 Na44 Na43 145.9(5) . .
Na39 Na41 Na44 Na43 178.3(4) . .
O188 Na43 Na44 O158 6(3) . .
O25 Na43 Na44 O158 160.7(6) 2_667 .
O160 Na43 Na44 O158 -128.0(6) . .
O89 Na43 Na44 O158 -32.1(5) 2_767 .
O159 Na43 Na44 O158 122.5(7) . .
Na'5 Na43 Na44 O158 77.8(5) . .
O188 Na43 Na44 O173 -83(3) . .
O25 Na43 Na44 O173 71.3(7) 2_667 .
O160 Na43 Na44 O173 142.6(7) . .
O89 Na43 Na44 O173 -121.5(6) 2_767 .
O159 Na43 Na44 O173 33.1(8) . .
Na'5 Na43 Na44 O173 -11.6(7) . .
O188 Na43 Na44 O153 55(3) . .
O25 Na43 Na44 O153 -150.1(5) 2_667 .
O160 Na43 Na44 O153 -78.8(6) . .
O89 Na43 Na44 O153 17.1(6) 2_767 .
O159 Na43 Na44 O153 171.8(8) . .
Na'5 Na43 Na44 O153 127.0(6) . .
O188 Na43 Na44 O159 -116(3) . .
O25 Na43 Na44 O159 38.1(6) 2_667 .
O160 Na43 Na44 O159 109.4(7) . .
O89 Na43 Na44 O159 -154.6(6) 2_767 .
Na'5 Na43 Na44 O159 -44.8(6) . .
O188 Na43 Na44 O62A 151(3) . 1_556
O25 Na43 Na44 O62A -53.9(5) 2_667 1_556
O160 Na43 Na44 O62A 17.4(5) . 1_556
O89 Na43 Na44 O62A 113.3(4) 2_767 1_556
O159 Na43 Na44 O62A -92.1(6) . 1_556
Na'5 Na43 Na44 O62A -136.8(4) . 1_556
O188 Na43 Na44 O62B 158(3) . 1_556
O25 Na43 Na44 O62B -47.4(7) 2_667 1_556
O160 Na43 Na44 O62B 23.9(7) . 1_556
O89 Na43 Na44 O62B 119.8(7) 2_767 1_556
O159 Na43 Na44 O62B -85.5(8) . 1_556
Na'5 Na43 Na44 O62B -130.3(7) . 1_556
O188 Na43 Na44 Na41 19(3) . .
O25 Na43 Na44 Na41 174.1(4) 2_667 .
O160 Na43 Na44 Na41 -114.6(5) . .
O89 Na43 Na44 Na41 -18.6(4) 2_767 .
O159 Na43 Na44 Na41 136.0(6) . .
Na'5 Na43 Na44 Na41 91.2(3) . .
O154 Na40 Na45 O175 23.8(14) . .
O152 Na40 Na45 O175 -161.2(14) . .
O147 Na40 Na45 O175 103.9(15) . .
O119 Na40 Na45 O175 -50.2(13) 1_655 .
O146 Na40 Na45 O175 -81.3(14) . .
O59 Na40 Na45 O175 118.0(14) . .
Na38 Na40 Na45 O175 14.3(17) . .
Na39 Na40 Na45 O175 -113.7(13) 1_554 .
O154 Na40 Na45 O165 -73.6(4) . .
O152 Na40 Na45 O165 101.4(4) . .
O147 Na40 Na45 O165 6.5(10) . .
O119 Na40 Na45 O165 -147.6(6) 1_655 .
O146 Na40 Na45 O165 -178.8(4) . .
O59 Na40 Na45 O165 20.5(4) . .
Na38 Na40 Na45 O165 -83.2(6) . .
Na39 Na40 Na45 O165 148.8(3) 1_554 .
O154 Na40 Na45 O119 74.0(4) . 1_655
O152 Na40 Na45 O119 -111.0(4) . 1_655
O147 Na40 Na45 O119 154.1(8) . 1_655
O146 Na40 Na45 O119 -31.1(4) . 1_655
O59 Na40 Na45 O119 168.2(4) . 1_655
Na38 Na40 Na45 O119 64.5(6) . 1_655
Na39 Na40 Na45 O119 -63.6(4) 1_554 1_655
O154 Na40 Na45 O157 -177.1(4) . .
O152 Na40 Na45 O157 -2.1(3) . .
O147 Na40 Na45 O157 -97.0(8) . .
O119 Na40 Na45 O157 108.9(5) 1_655 .
O146 Na40 Na45 O157 77.8(4) . .
O59 Na40 Na45 O157 -83.0(3) . .
Na38 Na40 Na45 O157 173.3(4) . .
Na39 Na40 Na45 O157 45.3(4) 1_554 .
O188 Na43 Na'5 O161 -122.1(10) . 1_566
O25 Na43 Na'5 O161 -28.5(6) 2_667 1_566
O160 Na43 Na'5 O161 12.2(14) . 1_566
O89 Na43 Na'5 O161 160.3(7) 2_767 1_566
O159 Na43 Na'5 O161 52.2(6) . 1_566
Na44 Na43 Na'5 O161 76.1(6) . 1_566
O188 Na43 Na'5 O163 -72.5(11) . 1_566
O25 Na43 Na'5 O163 21.1(8) 2_667 1_566
O160 Na43 Na'5 O163 61.8(16) . 1_566
O89 Na43 Na'5 O163 -150.2(8) 2_767 1_566
O159 Na43 Na'5 O163 101.7(9) . 1_566
Na44 Na43 Na'5 O163 125.7(8) . 1_566
O188 Na43 Na'5 O121 25.2(9) . 1_666
O25 Na43 Na'5 O121 118.8(6) 2_667 1_666
O160 Na43 Na'5 O121 159.4(12) . 1_666
O89 Na43 Na'5 O121 -52.5(7) 2_767 1_666
O159 Na43 Na'5 O121 -160.6(6) . 1_666
Na44 Na43 Na'5 O121 -136.7(4) . 1_666
O188 Na43 Na'5 Na42 -107.5(9) . 1_566
O25 Na43 Na'5 Na42 -13.9(4) 2_667 1_566
O160 Na43 Na'5 Na42 26.8(14) . 1_566
O89 Na43 Na'5 Na42 174.9(5) 2_767 1_566
O159 Na43 Na'5 Na42 66.8(4) . 1_566
Na44 Na43 Na'5 Na42 90.7(4) . 1_566
O154 Na40 O146 Na39 139.5(3) . 1_554
O152 Na40 O146 Na39 -49.7(4) . 1_554
O147 Na40 O146 Na39 54.7(3) . 1_554
O119 Na40 O146 Na39 -143.3(3) 1_655 1_554
O59 Na40 O146 Na39 7.2(7) . 1_554
Na45 Na40 O146 Na39 -123.5(3) . 1_554
Na38 Na40 O146 Na39 79.9(3) . 1_554
O74 Na38 O147 Na40 -34.1(3) 1_554 .
O148 Na38 O147 Na40 68.7(3) . .
O22 Na38 O147 Na40 -154.3(3) 1_554 .
O2 Na38 O147 Na40 -134.2(3) 1_554 .
O130 Na38 O147 Na40 155.6(3) 1_554 .
Gd1 Na38 O147 Na40 -165.1(2) 1_554 .
Na42 Na38 O147 Na40 3.8(3) . .
O154 Na40 O147 Na38 -51.0(4) . .
O152 Na40 O147 Na38 138.5(3) . .
O119 Na40 O147 Na38 4.7(8) 1_655 .
O146 Na40 O147 Na38 53.3(3) . .
O59 Na40 O147 Na38 -145.1(3) . .
Na45 Na40 O147 Na38 -131.3(7) . .
Na39 Na40 O147 Na38 78.8(3) 1_554 .
O158 Na44 O153 Na41 -8.3(5) . .
O173 Na44 O153 Na41 93.2(6) . .
O62A Na44 O153 Na41 -146.8(5) 1_556 .
O62B Na44 O153 Na41 -162.1(7) 1_556 .
Na43 Na44 O153 Na41 -49.8(6) . .
O158 Na41 O153 Na44 8.2(5) . .
O162 Na41 O153 Na44 96.1(5) . .
O151 Na41 O153 Na44 -63.5(12) . .
O4 Na41 O153 Na44 -148.3(5) . .
Na39 Na41 O153 Na44 -162.0(4) . .
O173 Na44 O158 Na41 -89.2(8) . .
O153 Na44 O158 Na41 10.7(6) . .
O159 Na44 O158 Na41 -170.4(6) . .
O62A Na44 O158 Na41 98.0(8) 1_556 .
O62B Na44 O158 Na41 82.6(17) 1_556 .
Na43 Na44 O158 Na41 157.0(7) . .
O162 Na41 O158 Na44 -80.3(6) . .
O151 Na41 O158 Na44 149.3(5) . .
O4 Na41 O158 Na44 32.0(11) . .
O153 Na41 O158 Na44 -9.5(6) . .
Na39 Na41 O158 Na44 108(2) . .
O158 Na44 O159 Na43 -47.6(6) . .
O173 Na44 O159 Na43 -150.4(7) . .
O62A Na44 O159 Na43 90.9(6) 1_556 .
O62B Na44 O159 Na43 105.6(8) 1_556 .
Na41 Na44 O159 Na43 -54.2(6) . .
O188 Na43 O159 Na44 149.0(16) . .
O25 Na43 O159 Na44 -143.4(5) 2_667 .
O160 Na43 O159 Na44 -57.2(5) . .
O89 Na43 O159 Na44 26.1(6) 2_767 .
Na'5 Na43 O159 Na44 138.9(5) . .
O155 Na42 O161 Na'5 148.3(7) . 1_544
O74 Na42 O161 Na'5 39.8(14) 1_554 1_544
O170 Na42 O161 Na'5 -84.0(8) . 1_544
O163 Na42 O161 Na'5 -8.2(7) . 1_544
Na38 Na42 O161 Na'5 143(2) . 1_544
O161 Na42 O163 Na'5 7.5(6) . 1_544
O155 Na42 O163 Na'5 -64.3(11) . 1_544
O74 Na42 O163 Na'5 -150.9(5) 1_554 1_544
O170 Na42 O163 Na'5 92.3(6) . 1_544
Na38 Na42 O163 Na'5 -165.9(5) . 1_544
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
1 0.019 0.003 0.500 3163.3 1772.2
