#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/96/7219693.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_7219693
loop_
_publ_author_name
'Zhang, Lina'
'Zhang, Chao'
'Zhang, Bin'
'Du, Chenxia'
'Hou, Hongwei'
_publ_section_title
;
 Two series of pH-dependent lanthanide complexes showing solvent-induced
 single crystal to single crystal transformation, sorption and
 luminescence properties
;
_journal_issue                   14
_journal_name_full               CrystEngComm
_journal_page_first              2837
_journal_paper_doi               10.1039/C5CE00263J
_journal_volume                  17
_journal_year                    2015
_chemical_formula_moiety         'C73.5 H53 Gd2 N1.5 O22, 2(C3 H7 N O)'
_chemical_formula_sum            'C79.5 H71.5 Gd2 N3.5 O24'
_chemical_formula_weight         1774.35
_chemical_name_systematic
;
 ? 
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_date             2014-12-13
_audit_creation_method
;
Olex2 1.2
(compiled 2012.05.09 svn.r2324, GUI svn.r4862)
;
_audit_update_record
;
2015-01-16 deposited with the CCDC.
2015-03-02 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 107.0169(14)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.11880(17)
_cell_length_b                   29.5116(3)
_cell_length_c                   18.3851(3)
_cell_measurement_reflns_used    14766
_cell_measurement_temperature    291(2)
_cell_measurement_theta_max      29.2508
_cell_measurement_theta_min      2.9737
_cell_volume                     7325.10(17)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.20 (release 27-06-2012 CrysAlis171 .NET)
(compiled Jul 11 2012,15:38:31)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.20 (release 27-06-2012 CrysAlis171 .NET)
(compiled Jul 11 2012,15:38:31)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.20 (release 27-06-2012 CrysAlis171 .NET)
(compiled Jul 11 2012,15:38:31)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement
;
XL, G.M. Sheldrick, Acta Cryst.
(2008). A64, 112-122
;
_computing_structure_solution
;
SHELXS, G.M. Sheldrick, Acta Cryst.
(2008). A64, 112-122
;
_diffrn_ambient_temperature      291.15
_diffrn_detector_area_resol_mean 16.2312
_diffrn_measured_fraction_theta_full 0.980
_diffrn_measured_fraction_theta_max 0.980
_diffrn_measurement_details
;
  1 omega   35.00   72.00   0.5000   43.0000
omega____ theta____ kappa____ phi______ frames
    -       19.7104  178.0000   30.0000 74

  2 omega  -24.00   92.00   0.5000   43.0000
omega____ theta____ kappa____ phi______ frames
    -       19.7104   19.0000   90.0000 232

  3 omega   21.00   92.00   0.5000   43.0000
omega____ theta____ kappa____ phi______ frames
    -       19.7104   37.0000  150.0000 142
;
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      -0.0141169000
_diffrn_orient_matrix_UB_12      -0.0128980000
_diffrn_orient_matrix_UB_13      -0.0340045000
_diffrn_orient_matrix_UB_21      -0.0469581000
_diffrn_orient_matrix_UB_22      0.0107795000
_diffrn_orient_matrix_UB_23      -0.0106067000
_diffrn_orient_matrix_UB_31      0.0189034000
_diffrn_orient_matrix_UB_32      0.0171772000
_diffrn_orient_matrix_UB_33      -0.0189290000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.0241
_diffrn_reflns_av_unetI/netI     0.0404
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       35
_diffrn_reflns_limit_k_min       -37
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            32372
_diffrn_reflns_theta_full        27.10
_diffrn_reflns_theta_max         27.10
_diffrn_reflns_theta_min         2.98
_diffrn_source                   'Enhance (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    1.879
_exptl_absorpt_correction_T_max  0.80910
_exptl_absorpt_correction_T_min  0.75815
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.20 (release 27-06-2012 CrysAlis171 .NET)
(compiled Jul 11 2012,15:38:31)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'PALE YELLOW'
_exptl_crystal_density_diffrn    1.605
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       PRISMATIC
_exptl_crystal_F_000             3554
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.14
_refine_diff_density_max         1.020
_refine_diff_density_min         -0.619
_refine_diff_density_rms         0.089
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1018
_refine_ls_number_reflns         15835
_refine_ls_number_restraints     71
_refine_ls_restrained_S_all      1.053
_refine_ls_R_factor_all          0.0477
_refine_ls_R_factor_gt           0.0342
_refine_ls_shift/su_max          0.018
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0311P)²+7.6762P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0746
_refine_ls_wR_factor_ref         0.0802
_reflns_number_gt                12998
_reflns_number_total             15835
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5ce00263j2.cif
_cod_data_source_block           Gd-p21c
_cod_depositor_comments
'Adding full bibliography for 7219688--7219700.cif.'
_cod_original_cell_volume        7325.10(16)
_cod_original_formula_sum        'C79.50 H71.5 Gd2 N3.50 O24'
_cod_database_code               7219693
#BEGIN Tags that were not found in dictionaries:
_chemical_oxdiff_formula         C60H60N6O8P2F9Eu1
_reflns_odcompleteness_completeness 99.83
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
#END Tags that were not found in dictionaries
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x, y+1/2, -z+1/2'
3 '-x, -y, -z'
4 'x, -y-1/2, z-1/2'
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 0.813186(11) 0.243607(5) 0.177805(10) 0.02129(5) Uani 1 1 d . . .
Gd2 Gd 0.673119(12) 0.170221(5) 0.326131(10) 0.02321(5) Uani 1 1 d . . .
O1 O 0.84562(18) 0.18147(10) 0.37779(17) 0.0435(7) Uani 1 1 d . . .
O1A O 1.6167(2) 0.30398(10) 0.70176(16) 0.0515(8) Uani 1 1 d . . .
O2 O 0.90674(18) 0.22280(9) 0.30073(15) 0.0397(7) Uani 1 1 d . . .
O3 O 1.0907(2) 0.24137(12) 0.33585(16) 0.0525(9) Uani 1 1 d . . .
H3 H 1.0326 0.2403 0.3101 0.079 Uiso 1 1 calc R . .
O4 O 1.48694(18) 0.22784(9) 0.51001(17) 0.0396(7) Uani 1 1 d . . .
H4 H 1.5439 0.2277 0.5383 0.059 Uiso 1 1 calc R . .
O6 O 1.63985(19) 0.25786(10) 0.61466(17) 0.0456(7) Uani 1 1 d . . .
O7 O 0.91334(19) 0.31356(8) 0.22118(15) 0.0349(6) Uani 1 1 d . . .
O8 O 0.79965(19) 0.31655(8) 0.11089(15) 0.0366(6) Uani 1 1 d . . .
O9 O 1.0421(2) 0.37644(10) 0.26416(17) 0.0411(7) Uani 1 1 d . . .
H9 H 1.015(3) 0.3546(16) 0.262(3) 0.050(15) Uiso 1 1 d . . .
O10 O 1.2261(2) 0.53811(9) 0.2356(2) 0.0572(9) Uani 1 1 d . . .
H10 H 1.2466 0.5631 0.2280 0.086 Uiso 1 1 calc R . .
O11 O 1.2480(2) 0.62390(9) 0.24426(16) 0.0391(7) Uani 1 1 d . . .
O12 O 1.1883(2) 0.66401(8) 0.32316(16) 0.0403(7) Uani 1 1 d . . .
O13 O 0.74102(19) 0.28581(8) 0.25809(16) 0.0365(6) Uani 1 1 d . . .
O14 O 0.6740(2) 0.24877(8) 0.33608(16) 0.0388(7) Uani 1 1 d . . .
O15 O 0.7459(2) 0.37398(9) 0.27311(19) 0.0454(8) Uani 1 1 d . . .
H15 H 0.7630 0.3492 0.2611 0.068 Uiso 1 1 calc R . .
O16 O 0.5501(2) 0.53763(9) 0.28459(15) 0.0389(6) Uani 1 1 d . . .
H16 H 0.5200 0.5616 0.2825 0.058 Uiso 1 1 calc R . .
O17 O 0.43909(19) 0.60431(8) 0.22493(16) 0.0386(6) Uani 1 1 d . . .
O18 O 0.33761(19) 0.59979(9) 0.10884(15) 0.0384(6) Uani 1 1 d . . .
O19 O 0.6962(2) 0.19321(9) 0.45938(15) 0.0391(6) Uani 1 1 d . . .
H19A H 0.6894 0.2252 0.4659 0.059 Uiso 1 1 d R . .
H19B H 0.6498 0.1796 0.4822 0.059 Uiso 1 1 d R . .
O20 O 0.5103(2) 0.18690(11) 0.3423(2) 0.0538(8) Uani 1 1 d . . .
H20A H 0.5159 0.1943 0.3895 0.081 Uiso 1 1 d R . .
H20B H 0.4718 0.1631 0.3308 0.081 Uiso 1 1 d R . .
O21 O 0.9705(2) 0.23278(11) 0.15802(18) 0.0502(8) Uani 1 1 d . . .
O22 O 0.7852(2) 0.22390(10) 0.04172(16) 0.0465(7) Uani 1 1 d D . .
O23 O 0.3321(3) 0.35394(15) 0.8038(3) 0.0809(12) Uani 1 1 d . . .
O24 O 0.7145(9) 0.3650(3) 0.4955(7) 0.173(4) Uiso 0.624(10) 1 d PD A 1
O24A O 0.6378(14) 0.3481(4) 0.5278(11) 0.173(4) Uiso 0.376(10) 1 d PD A 2
N1 N 1.1330(3) 0.22822(14) 0.1658(2) 0.0488(9) Uani 1 1 d . . .
N2 N 0.8698(8) 0.1798(4) -0.0220(6) 0.093(3) Uani 0.50 1 d PDU . .
N3 N 0.2317(3) 0.41282(15) 0.8078(3) 0.0631(12) Uani 1 1 d . . .
N4 N 0.6401(5) 0.4273(3) 0.5250(4) 0.125(2) Uiso 1 1 d D A .
C1 C 1.0195(2) 0.19478(13) 0.4141(2) 0.0303(8) Uani 1 1 d . . .
C2 C 1.1034(3) 0.21571(13) 0.3994(2) 0.0317(8) Uani 1 1 d . . .
C3 C 1.1979(2) 0.21100(13) 0.4478(2) 0.0268(8) Uani 1 1 d . . .
C4 C 1.2136(2) 0.18194(12) 0.5119(2) 0.0268(8) Uani 1 1 d . . .
C5 C 1.1302(3) 0.16158(13) 0.5288(2) 0.0303(8) Uani 1 1 d . . .
C6 C 1.0347(3) 0.16899(12) 0.4786(2) 0.0313(8) Uani 1 1 d . . .
H6 H 0.9804 0.1560 0.4895 0.038 Uiso 1 1 calc R . .
C7 C 1.1456(3) 0.13302(14) 0.5924(2) 0.0405(10) Uani 1 1 d . . .
H7 H 1.0914 0.1200 0.6033 0.049 Uiso 1 1 calc R . .
C8 C 1.2383(3) 0.12401(15) 0.6383(2) 0.0475(11) Uani 1 1 d . . .
H8 H 1.2470 0.1056 0.6808 0.057 Uiso 1 1 calc R . .
C9 C 1.3204(3) 0.14251(15) 0.6212(2) 0.0446(11) Uani 1 1 d . . .
H9A H 1.3838 0.1354 0.6515 0.054 Uiso 1 1 calc R . .
C10 C 1.3087(3) 0.17078(13) 0.5607(2) 0.0328(9) Uani 1 1 d . . .
H10A H 1.3645 0.1831 0.5511 0.039 Uiso 1 1 calc R . .
C11 C 1.2850(2) 0.23392(13) 0.4294(2) 0.0297(8) Uani 1 1 d . . .
H11A H 1.3324 0.2109 0.4259 0.036 Uiso 1 1 calc R . .
H11B H 1.2611 0.2484 0.3800 0.036 Uiso 1 1 calc R . .
C12 C 1.3379(2) 0.26923(12) 0.4874(2) 0.0263(8) Uani 1 1 d . . .
C13 C 1.4366(2) 0.26322(12) 0.5285(2) 0.0256(7) Uani 1 1 d . . .
C14 C 1.4829(3) 0.29271(12) 0.5903(2) 0.0288(8) Uani 1 1 d . . .
C15 C 1.4335(3) 0.33013(13) 0.6032(2) 0.0365(9) Uani 1 1 d . . .
H15A H 1.4632 0.3488 0.6443 0.044 Uiso 1 1 calc R . .
C16 C 1.3390(3) 0.34102(14) 0.5559(2) 0.0376(9) Uani 1 1 d . . .
C17 C 1.2900(3) 0.31011(13) 0.4985(2) 0.0293(8) Uani 1 1 d . . .
C18 C 1.1950(3) 0.32231(15) 0.4501(3) 0.0439(11) Uani 1 1 d . . .
H18 H 1.1597 0.3020 0.4134 0.053 Uiso 1 1 calc R . .
C19 C 1.1551(3) 0.36371(19) 0.4570(3) 0.0623(15) Uani 1 1 d . . .
H19 H 1.0937 0.3715 0.4239 0.075 Uiso 1 1 calc R . .
C20 C 1.2044(4) 0.39415(18) 0.5121(4) 0.0668(16) Uani 1 1 d . . .
H20 H 1.1762 0.4222 0.5156 0.080 Uiso 1 1 calc R . .
C21 C 1.2941(4) 0.38335(16) 0.5613(3) 0.0564(13) Uani 1 1 d . . .
H21 H 1.3261 0.4039 0.5988 0.068 Uiso 1 1 calc R . .
C22 C 0.9163(3) 0.19974(13) 0.3609(2) 0.0337(9) Uani 1 1 d . . .
C23 C 1.5859(3) 0.28443(13) 0.6393(2) 0.0327(9) Uani 1 1 d . . .
C24 C 0.9052(3) 0.38121(11) 0.1484(2) 0.0276(8) Uani 1 1 d . . .
C25 C 0.9907(3) 0.40059(12) 0.2021(2) 0.0285(8) Uani 1 1 d . . .
C26 C 1.0239(3) 0.44346(12) 0.1914(2) 0.0290(8) Uani 1 1 d . . .
C27 C 0.9712(3) 0.46882(12) 0.1260(2) 0.0327(8) Uani 1 1 d . . .
C28 C 0.8866(3) 0.44917(12) 0.0722(2) 0.0342(9) Uani 1 1 d . . .
C29 C 0.8565(3) 0.40555(12) 0.0853(2) 0.0341(9) Uani 1 1 d . . .
H29 H 0.8019 0.3927 0.0500 0.041 Uiso 1 1 calc R . .
C30 C 0.9979(3) 0.51319(13) 0.1098(2) 0.0418(10) Uani 1 1 d . . .
H30 H 1.0542 0.5265 0.1423 0.050 Uiso 1 1 calc R . .
C31 C 0.9436(4) 0.53675(14) 0.0484(3) 0.0508(12) Uani 1 1 d . . .
H31 H 0.9614 0.5663 0.0409 0.061 Uiso 1 1 calc R . .
C32 C 0.8611(4) 0.51717(15) -0.0039(3) 0.0541(12) Uani 1 1 d . . .
H32 H 0.8241 0.5336 -0.0457 0.065 Uiso 1 1 calc R . .
C33 C 0.8355(3) 0.47407(14) 0.0070(3) 0.0459(11) Uani 1 1 d . . .
H33 H 0.7831 0.4605 -0.0294 0.055 Uiso 1 1 calc R . .
C34 C 1.1190(3) 0.46112(12) 0.2473(2) 0.0333(9) Uani 1 1 d . B .
H34A H 1.1444 0.4381 0.2858 0.040 Uiso 1 1 calc R . .
H34B H 1.1678 0.4654 0.2202 0.040 Uiso 1 1 calc R . .
C35 C 1.1092(3) 0.50522(12) 0.2871(2) 0.0301(8) Uani 1 1 d . . .
C36 C 1.1625(3) 0.54276(12) 0.2778(2) 0.0317(8) Uani 1 1 d . B .
C37 C 1.1491(3) 0.58591(12) 0.3083(2) 0.0305(8) Uani 1 1 d . . .
C38 C 1.075(2) 0.5890(12) 0.3409(12) 0.034(3) Uani 0.526(6) 1 d P B 1
H38 H 1.0603 0.6176 0.3563 0.040 Uiso 0.526(6) 1 calc PR B 1
C38A C 1.095(3) 0.5882(14) 0.3616(14) 0.034(3) Uani 0.474(6) 1 d P B 2
H38A H 1.0908 0.6154 0.3862 0.040 Uiso 0.474(6) 1 calc PR B 2
C39 C 1.0180(11) 0.5522(7) 0.3530(7) 0.034(2) Uani 0.526(6) 1 d P B 1
C39A C 1.0472(12) 0.5497(7) 0.3772(8) 0.034(2) Uani 0.474(6) 1 d P B 2
C40 C 1.0351(14) 0.5100(9) 0.3256(11) 0.026(2) Uani 0.526(6) 1 d PU B 1
C40A C 1.0553(16) 0.5070(10) 0.3409(13) 0.026(2) Uani 0.474(6) 1 d PU B 2
C41 C 0.9773(16) 0.4731(12) 0.343(2) 0.036(3) Uani 0.526(6) 1 d P B 1
H41 H 0.9936 0.4440 0.3309 0.043 Uiso 0.526(6) 1 calc PR B 1
C41A C 1.0047(18) 0.4681(14) 0.352(3) 0.036(3) Uani 0.474(6) 1 d P B 2
H41A H 1.0067 0.4409 0.3270 0.043 Uiso 0.474(6) 1 calc PR B 2
C42 C 0.9063(9) 0.4761(5) 0.3729(6) 0.050(2) Uani 0.526(6) 1 d P B 1
H42 H 0.8700 0.4508 0.3786 0.060 Uiso 0.526(6) 1 calc PR B 1
C42A C 0.9483(10) 0.4740(5) 0.4068(7) 0.050(2) Uani 0.474(6) 1 d P B 2
H42A H 0.9135 0.4494 0.4174 0.060 Uiso 0.474(6) 1 calc PR B 2
C43 C 0.8851(9) 0.5196(4) 0.3969(7) 0.063(3) Uani 0.526(6) 1 d P B 1
H43 H 0.8331 0.5231 0.4179 0.075 Uiso 0.526(6) 1 calc PR B 1
C43A C 0.9444(9) 0.5141(4) 0.4429(8) 0.063(3) Uani 0.474(6) 1 d P B 2
H43A H 0.9083 0.5160 0.4778 0.075 Uiso 0.474(6) 1 calc PR B 2
C44 C 0.9395(8) 0.5561(4) 0.3897(7) 0.052(2) Uani 0.526(6) 1 d P B 1
H44 H 0.9269 0.5840 0.4083 0.063 Uiso 0.526(6) 1 calc PR B 1
C44A C 0.9928(9) 0.5510(4) 0.4281(7) 0.052(2) Uani 0.474(6) 1 d P B 2
H44A H 0.9892 0.5780 0.4532 0.063 Uiso 0.474(6) 1 calc PR B 2
C45 C 0.8707(3) 0.33496(12) 0.1605(2) 0.0282(8) Uani 1 1 d . . .
C46 C 1.1986(3) 0.62782(12) 0.2915(2) 0.0302(8) Uani 1 1 d . B .
C47 C 0.6302(3) 0.32535(12) 0.3104(2) 0.0309(8) Uani 1 1 d . . .
C48 C 0.6606(3) 0.36917(12) 0.2936(2) 0.0327(8) Uani 1 1 d . . .
C49 C 0.6054(3) 0.40739(12) 0.2969(2) 0.0323(8) Uani 1 1 d . . .
C50 C 0.5175(3) 0.40243(13) 0.3201(2) 0.0338(9) Uani 1 1 d . . .
C51 C 0.4876(3) 0.35873(14) 0.3364(2) 0.0384(9) Uani 1 1 d . . .
C52 C 0.5456(3) 0.32107(13) 0.3315(2) 0.0387(10) Uani 1 1 d . . .
H52 H 0.5261 0.2925 0.3428 0.046 Uiso 1 1 calc R . .
C53 C 0.4587(3) 0.43978(14) 0.3277(2) 0.0406(10) Uani 1 1 d . . .
H53 H 0.4780 0.4689 0.3186 0.049 Uiso 1 1 calc R . .
C54 C 0.3739(3) 0.43398(16) 0.3482(3) 0.0534(12) Uani 1 1 d . . .
H54 H 0.3364 0.4592 0.3527 0.064 Uiso 1 1 calc R . .
C55 C 0.3427(4) 0.39094(18) 0.3624(3) 0.0630(14) Uani 1 1 d . . .
H55 H 0.2842 0.3873 0.3752 0.076 Uiso 1 1 calc R . .
C56 C 0.3990(3) 0.35427(16) 0.3573(3) 0.0569(13) Uani 1 1 d . . .
H56 H 0.3788 0.3256 0.3679 0.068 Uiso 1 1 calc R . .
C57 C 0.6371(3) 0.45326(12) 0.2748(2) 0.0339(9) Uani 1 1 d . . .
H57A H 0.6992 0.4497 0.2628 0.041 Uiso 1 1 calc R . .
H57B H 0.6490 0.4734 0.3182 0.041 Uiso 1 1 calc R . .
C58 C 0.5624(3) 0.47540(12) 0.2073(2) 0.0307(8) Uani 1 1 d . . .
C59 C 0.5207(3) 0.51673(12) 0.2153(2) 0.0298(8) Uani 1 1 d . . .
C60 C 0.4479(3) 0.53735(12) 0.1538(2) 0.0312(8) Uani 1 1 d . . .
C61 C 0.4173(3) 0.51511(13) 0.0860(2) 0.0381(9) Uani 1 1 d . . .
H61 H 0.3694 0.5285 0.0459 0.046 Uiso 1 1 calc R . .
C62 C 0.4559(3) 0.47237(13) 0.0746(2) 0.0381(9) Uani 1 1 d . . .
C63 C 0.5323(3) 0.45333(12) 0.1352(2) 0.0330(9) Uani 1 1 d . . .
C64 C 0.5773(3) 0.41291(13) 0.1190(3) 0.0425(10) Uani 1 1 d . . .
H64 H 0.6311 0.4007 0.1558 0.051 Uiso 1 1 calc R . .
C65 C 0.5429(4) 0.39188(15) 0.0506(3) 0.0535(12) Uani 1 1 d . . .
H65 H 0.5734 0.3653 0.0419 0.064 Uiso 1 1 calc R . .
C66 C 0.4636(4) 0.40901(16) -0.0065(3) 0.0563(13) Uani 1 1 d . . .
H66 H 0.4389 0.3932 -0.0518 0.068 Uiso 1 1 calc R . .
C67 C 0.4218(4) 0.44928(15) 0.0044(3) 0.0509(11) Uani 1 1 d . . .
H67 H 0.3706 0.4616 -0.0346 0.061 Uiso 1 1 calc R . .
C68 C 0.6852(3) 0.28370(12) 0.3012(2) 0.0293(8) Uani 1 1 d . . .
C69 C 0.4053(3) 0.58266(12) 0.1624(2) 0.0312(8) Uani 1 1 d . . .
C70 C 1.0546(3) 0.24971(16) 0.1702(3) 0.0480(11) Uani 1 1 d . . .
H70 H 1.0617 0.2802 0.1835 0.058 Uiso 1 1 calc R . .
C71 C 1.2302(4) 0.2492(2) 0.1848(4) 0.0763(17) Uani 1 1 d U . .
H71A H 1.2761 0.2318 0.2235 0.114 Uiso 1 1 calc R . .
H71B H 1.2264 0.2794 0.2031 0.114 Uiso 1 1 calc R . .
H71C H 1.2525 0.2504 0.1402 0.114 Uiso 1 1 calc R . .
C72 C 1.1269(5) 0.1811(2) 0.1449(5) 0.103(2) Uani 1 1 d U . .
H72A H 1.0684 0.1680 0.1529 0.155 Uiso 1 1 calc R . .
H72B H 1.1843 0.1654 0.1757 0.155 Uiso 1 1 calc R . .
H72C H 1.1238 0.1783 0.0923 0.155 Uiso 1 1 calc R . .
C73 C 0.8086(10) 0.1903(4) 0.0180(8) 0.099(4) Uani 0.50 1 d PDU . .
C74 C 0.8824(11) 0.1372(5) -0.0544(9) 0.115(5) Uani 0.50 1 d PDU . .
C75 C 0.9254(9) 0.2156(4) -0.0372(7) 0.084(4) Uani 0.50 1 d PDU . .
C76 C 0.3079(4) 0.3935(2) 0.7935(3) 0.0694(16) Uani 1 1 d . . .
H76 H 0.3475 0.4120 0.7735 0.083 Uiso 1 1 calc R . .
C77 C 0.1660(6) 0.3871(2) 0.8386(5) 0.130(3) Uani 1 1 d U . .
H77A H 0.1812 0.3928 0.8921 0.195 Uiso 1 1 calc R . .
H77B H 0.1741 0.3553 0.8304 0.195 Uiso 1 1 calc R . .
H77C H 0.0988 0.3958 0.8137 0.195 Uiso 1 1 calc R . .
C78 C 0.2105(5) 0.4606(2) 0.7982(5) 0.104(2) Uani 1 1 d U . .
H78A H 0.2305 0.4718 0.7558 0.156 Uiso 1 1 calc R . .
H78B H 0.2462 0.4765 0.8435 0.156 Uiso 1 1 calc R . .
H78C H 0.1407 0.4655 0.7888 0.156 Uiso 1 1 calc R . .
C79 C 0.6495(12) 0.3851(4) 0.5110(9) 0.242(7) Uiso 1 1 d D . .
H79 H 0.5964 0.3671 0.5133 0.291 Uiso 0.624(10) 1 calc PR A 1
H79A H 0.6769 0.3837 0.4708 0.291 Uiso 0.376(10) 1 calc PR A 2
C80 C 0.6980(6) 0.4608(3) 0.5008(5) 0.138(3) Uiso 1 1 d D . .
H80A H 0.7425 0.4750 0.5446 0.206 Uiso 1 1 calc R A .
H80B H 0.6549 0.4832 0.4705 0.206 Uiso 1 1 calc R . .
H80C H 0.7354 0.4466 0.4712 0.206 Uiso 1 1 calc R . .
C81 C 0.5690(8) 0.4339(4) 0.5630(6) 0.189(5) Uiso 1 1 d D . .
H81A H 0.6004 0.4339 0.6169 0.284 Uiso 1 1 calc R A .
H81B H 0.5211 0.4099 0.5501 0.284 Uiso 1 1 calc R . .
H81C H 0.5364 0.4624 0.5480 0.284 Uiso 1 1 calc R . .
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'
Gd Gd -0.1653 3.9035 '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'
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
O2 Gd1 O6 132.41(10) . 4_465
O2 Gd1 O7 78.57(9) . .
O2 Gd1 O8 130.68(9) . .
O2 Gd1 O12 75.30(10) . 2_745
O2 Gd1 O13 76.19(10) . .
O2 Gd1 O21 79.85(10) . .
O2 Gd1 O22 142.09(10) . .
O2 Gd1 C45 104.86(10) . .
O6 Gd1 O7 125.13(9) 4_465 .
O6 Gd1 O8 81.59(10) 4_465 .
O6 Gd1 O22 70.56(10) 4_465 .
O6 Gd1 C45 104.32(10) 4_465 .
O7 Gd1 C45 26.33(9) . .
O8 Gd1 O7 52.41(8) . .
O8 Gd1 O22 74.64(9) . .
O8 Gd1 C45 26.12(9) . .
O12 Gd1 O6 88.42(10) 2_745 4_465
O12 Gd1 O7 146.30(9) 2_745 .
O12 Gd1 O8 150.74(9) 2_745 .
O12 Gd1 O13 121.62(9) 2_745 .
O12 Gd1 O21 82.59(10) 2_745 .
O12 Gd1 O22 76.11(9) 2_745 .
O12 Gd1 C45 160.73(10) 2_745 .
O13 Gd1 O6 75.30(10) . 4_465
O13 Gd1 O7 70.98(9) . .
O13 Gd1 O8 82.37(9) . .
O13 Gd1 O22 141.01(10) . .
O13 Gd1 C45 76.25(9) . .
O21 Gd1 O6 142.78(11) . 4_465
O21 Gd1 O7 72.10(10) . .
O21 Gd1 O8 88.88(10) . .
O21 Gd1 O13 139.09(10) . .
O21 Gd1 O22 72.22(11) . .
O21 Gd1 C45 78.53(11) . .
O22 Gd1 O7 115.04(9) . .
O22 Gd1 C45 94.31(10) . .
O1 Gd2 O11 72.97(10) . 2_745
O1 Gd2 O17 136.22(9) . 2_645
O1 Gd2 O18 97.35(9) . 2_645
O1 Gd2 O19 75.04(10) . .
O1 Gd2 O20 144.59(11) . .
O1 Gd2 C69 118.39(10) . 2_645
O1A Gd2 O1 111.47(11) 4_465 .
O1A Gd2 O11 74.44(10) 4_465 2_745
O1A Gd2 O14 75.08(10) 4_465 .
O1A Gd2 O17 83.61(10) 4_465 2_645
O1A Gd2 O18 135.63(10) 4_465 2_645
O1A Gd2 O19 142.69(10) 4_465 .
O1A Gd2 O20 89.44(11) 4_465 .
O1A Gd2 C69 110.05(11) 4_465 2_645
O11 Gd2 O17 72.25(9) 2_745 2_645
O11 Gd2 O18 83.23(9) 2_745 2_645
O11 Gd2 O19 138.83(9) 2_745 .
O11 Gd2 O20 142.01(10) 2_745 .
O11 Gd2 C69 76.81(10) 2_745 2_645
O14 Gd2 O1 81.22(10) . .
O14 Gd2 O11 128.68(9) . 2_745
O14 Gd2 O17 142.19(9) . 2_645
O14 Gd2 O18 144.64(9) . 2_645
O14 Gd2 O19 69.64(9) . .
O14 Gd2 O20 76.94(10) . .
O14 Gd2 C69 153.32(10) . 2_645
O17 Gd2 C69 26.73(9) 2_645 2_645
O18 Gd2 O17 52.89(9) 2_645 2_645
O18 Gd2 O19 75.85(9) 2_645 .
O18 Gd2 O20 85.19(10) 2_645 .
O18 Gd2 C69 26.16(10) 2_645 2_645
O19 Gd2 O17 117.98(9) . 2_645
O19 Gd2 C69 96.73(10) . 2_645
O20 Gd2 O17 71.91(10) . 2_645
O20 Gd2 O19 71.38(10) . .
O20 Gd2 C69 76.95(10) . 2_645
C22 O1 Gd2 139.8(3) . .
C23 O1A Gd2 171.4(3) . 4_666
C22 O2 Gd1 150.0(2) . .
C2 O3 H3 109.5 . .
C13 O4 H4 109.5 . .
C23 O6 Gd1 118.5(2) . 4_666
C45 O7 Gd1 93.0(2) . .
C45 O8 Gd1 95.0(2) . .
C25 O9 H9 106(4) . .
C36 O10 H10 109.5 . .
C46 O11 Gd2 139.6(2) . 2_755
C46 O12 Gd1 148.9(3) . 2_755
C68 O13 Gd1 144.8(2) . .
C68 O14 Gd2 141.4(3) . .
C48 O15 H15 109.5 . .
C59 O16 H16 109.5 . .
C69 O17 Gd2 91.3(2) . 2_655
C69 O18 Gd2 95.8(2) . 2_655
Gd2 O19 H19A 113.9 . .
Gd2 O19 H19B 114.2 . .
H19A O19 H19B 104.5 . .
Gd2 O20 H20A 110.7 . .
Gd2 O20 H20B 110.3 . .
H20A O20 H20B 108.2 . .
C70 O21 Gd1 143.4(3) . .
C73 O22 Gd1 126.5(7) . .
C70 N1 C71 122.7(4) . .
C70 N1 C72 120.2(4) . .
C72 N1 C71 117.1(4) . .
C73 N2 C74 128.4(11) . .
C73 N2 C75 115.5(11) . .
C75 N2 C74 116.0(12) . .
C76 N3 C77 120.8(5) . .
C76 N3 C78 123.6(5) . .
C77 N3 C78 115.5(5) . .
C79 N4 C80 120.2(11) . .
C79 N4 C81 111.5(11) . .
C81 N4 C80 128.3(8) . .
C2 C1 C22 122.2(3) . .
C6 C1 C2 118.3(3) . .
C6 C1 C22 119.5(3) . .
O3 C2 C1 119.7(3) . .
O3 C2 C3 118.1(3) . .
C3 C2 C1 122.2(3) . .
C2 C3 C4 118.9(3) . .
C2 C3 C11 120.2(3) . .
C4 C3 C11 120.8(3) . .
C3 C4 C5 119.6(3) . .
C10 C4 C3 123.6(3) . .
C10 C4 C5 116.8(3) . .
C6 C5 C4 118.7(3) . .
C7 C5 C4 119.6(3) . .
C7 C5 C6 121.5(3) . .
C1 C6 C5 122.0(3) . .
C1 C6 H6 119.0 . .
C5 C6 H6 119.0 . .
C5 C7 H7 119.3 . .
C8 C7 C5 121.3(4) . .
C8 C7 H7 119.3 . .
C7 C8 H8 120.2 . .
C7 C8 C9 119.7(4) . .
C9 C8 H8 120.2 . .
C8 C9 H9A 119.6 . .
C10 C9 C8 120.9(4) . .
C10 C9 H9A 119.6 . .
C4 C10 H10A 119.2 . .
C9 C10 C4 121.7(4) . .
C9 C10 H10A 119.2 . .
C3 C11 H11A 108.7 . .
C3 C11 H11B 108.7 . .
H11A C11 H11B 107.6 . .
C12 C11 C3 114.2(3) . .
C12 C11 H11A 108.7 . .
C12 C11 H11B 108.7 . .
C13 C12 C11 120.1(3) . .
C13 C12 C17 118.2(3) . .
C17 C12 C11 121.6(3) . .
O4 C13 C12 118.5(3) . .
O4 C13 C14 120.9(3) . .
C12 C13 C14 120.5(3) . .
C13 C14 C23 121.4(3) . .
C15 C14 C13 119.5(3) . .
C15 C14 C23 119.1(3) . .
C14 C15 H15A 119.3 . .
C14 C15 C16 121.4(4) . .
C16 C15 H15A 119.3 . .
C15 C16 C17 119.0(4) . .
C15 C16 C21 121.6(4) . .
C17 C16 C21 119.4(4) . .
C16 C17 C12 120.3(3) . .
C16 C17 C18 118.0(4) . .
C18 C17 C12 121.6(4) . .
C17 C18 H18 119.8 . .
C19 C18 C17 120.4(5) . .
C19 C18 H18 119.8 . .
C18 C19 H19 119.4 . .
C18 C19 C20 121.1(4) . .
C20 C19 H19 119.4 . .
C19 C20 H20 119.8 . .
C21 C20 C19 120.4(5) . .
C21 C20 H20 119.8 . .
C16 C21 H21 119.7 . .
C20 C21 C16 120.5(5) . .
C20 C21 H21 119.7 . .
O1 C22 O2 123.9(3) . .
O1 C22 C1 119.1(3) . .
O2 C22 C1 116.9(3) . .
O1A C23 O6 122.2(4) . .
O1A C23 C14 119.9(4) . .
O6 C23 C14 117.9(3) . .
C25 C24 C45 120.6(3) . .
C29 C24 C25 119.1(3) . .
C29 C24 C45 120.2(3) . .
O9 C25 C24 120.2(3) . .
O9 C25 C26 118.6(3) . .
C26 C25 C24 121.2(3) . .
C25 C26 C27 119.0(3) . .
C25 C26 C34 119.0(3) . .
C27 C26 C34 121.9(3) . .
C26 C27 C28 119.6(3) . .
C30 C27 C26 123.8(4) . .
C30 C27 C28 116.7(4) . .
C29 C28 C27 119.2(4) . .
C29 C28 C33 121.3(4) . .
C33 C28 C27 119.4(4) . .
C24 C29 C28 121.8(4) . .
C24 C29 H29 119.1 . .
C28 C29 H29 119.1 . .
C27 C30 H30 119.1 . .
C31 C30 C27 121.8(4) . .
C31 C30 H30 119.1 . .
C30 C31 H31 119.5 . .
C30 C31 C32 120.9(4) . .
C32 C31 H31 119.5 . .
C31 C32 H32 120.3 . .
C33 C32 C31 119.4(4) . .
C33 C32 H32 120.3 . .
C28 C33 H33 119.2 . .
C32 C33 C28 121.6(4) . .
C32 C33 H33 119.2 . .
C26 C34 H34A 108.4 . .
C26 C34 H34B 108.4 . .
H34A C34 H34B 107.5 . .
C35 C34 C26 115.5(3) . .
C35 C34 H34A 108.4 . .
C35 C34 H34B 108.4 . .
C36 C35 C34 119.9(3) . .
C36 C35 C40 119.2(11) . .
C36 C35 C40A 118.8(12) . .
C40 C35 C34 120.4(10) . .
C40A C35 C34 120.8(12) . .
O10 C36 C35 117.9(3) . .
O10 C36 C37 120.2(3) . .
C35 C36 C37 121.9(3) . .
C36 C37 C46 122.2(3) . .
C38 C37 C36 116.4(15) . .
C38 C37 C46 120.3(16) . .
C38A C37 C36 118.5(17) . .
C38A C37 C46 119.0(17) . .
C37 C38 H38 117.7 . .
C37 C38 C39 125(3) . .
C39 C38 H38 117.7 . .
C37 C38A H38A 120.1 . .
C39A C38A C37 120(3) . .
C39A C38A H38A 120.1 . .
C38 C39 C44 124(2) . .
C40 C39 C38 118(2) . .
C40 C39 C44 118.3(17) . .
C38A C39A C40A 121(2) . .
C44A C39A C38A 121(2) . .
C44A C39A C40A 118.3(19) . .
C35 C40 C41 125(2) . .
C39 C40 C35 119.8(19) . .
C39 C40 C41 115(2) . .
C35 C40A C39A 119(2) . .
C41A C40A C35 118(3) . .
C41A C40A C39A 122(3) . .
C40 C41 H41 116.5 . .
C42 C41 C40 127(3) . .
C42 C41 H41 116.5 . .
C40A C41A H41A 123.0 . .
C40A C41A C42A 114(3) . .
C42A C41A H41A 123.0 . .
C41 C42 H42 121.3 . .
C41 C42 C43 117(2) . .
C43 C42 H42 121.3 . .
C41A C42A H42A 118.5 . .
C43A C42A C41A 123(2) . .
C43A C42A H42A 118.5 . .
C42 C43 H43 119.6 . .
C44 C43 C42 120.8(10) . .
C44 C43 H43 119.6 . .
C42A C43A H43A 119.9 . .
C44A C43A C42A 120.3(11) . .
C44A C43A H43A 119.9 . .
C39 C44 H44 119.6 . .
C43 C44 C39 120.9(12) . .
C43 C44 H44 119.6 . .
C39A C44A H44A 119.0 . .
C43A C44A C39A 122.0(14) . .
C43A C44A H44A 119.0 . .
O7 C45 Gd1 60.69(17) . .
O7 C45 C24 119.7(3) . .
O8 C45 Gd1 58.93(18) . .
O8 C45 O7 119.5(3) . .
O8 C45 C24 120.8(3) . .
C24 C45 Gd1 176.0(2) . .
O11 C46 C37 116.7(3) . .
O12 C46 O11 124.2(3) . .
O12 C46 C37 119.1(3) . .
C48 C47 C68 121.6(3) . .
C52 C47 C48 119.3(3) . .
C52 C47 C68 119.0(3) . .
O15 C48 C47 119.9(3) . .
O15 C48 C49 118.6(3) . .
C49 C48 C47 121.5(3) . .
C48 C49 C50 118.5(3) . .
C48 C49 C57 120.2(3) . .
C50 C49 C57 121.3(3) . .
C51 C50 C49 119.6(3) . .
C53 C50 C49 122.4(3) . .
C53 C50 C51 118.0(3) . .
C50 C51 C56 118.9(4) . .
C52 C51 C50 119.5(3) . .
C52 C51 C56 121.5(4) . .
C47 C52 C51 121.5(3) . .
C47 C52 H52 119.3 . .
C51 C52 H52 119.3 . .
C50 C53 H53 119.4 . .
C54 C53 C50 121.2(4) . .
C54 C53 H53 119.4 . .
C53 C54 H54 119.5 . .
C53 C54 C55 121.1(4) . .
C55 C54 H54 119.5 . .
C54 C55 H55 120.4 . .
C56 C55 C54 119.3(4) . .
C56 C55 H55 120.4 . .
C51 C56 H56 119.2 . .
C55 C56 C51 121.5(4) . .
C55 C56 H56 119.2 . .
C49 C57 H57A 108.7 . .
C49 C57 H57B 108.7 . .
C49 C57 C58 114.4(3) . .
H57A C57 H57B 107.6 . .
C58 C57 H57A 108.7 . .
C58 C57 H57B 108.7 . .
C59 C58 C57 120.6(3) . .
C59 C58 C63 118.8(3) . .
C63 C58 C57 120.6(3) . .
O16 C59 C58 118.4(3) . .
O16 C59 C60 120.0(3) . .
C58 C59 C60 121.6(3) . .
C59 C60 C69 121.2(3) . .
C61 C60 C59 118.9(3) . .
C61 C60 C69 119.9(3) . .
C60 C61 H61 118.9 . .
C60 C61 C62 122.2(4) . .
C62 C61 H61 118.9 . .
C61 C62 C63 118.3(4) . .
C67 C62 C61 121.5(4) . .
C67 C62 C63 120.2(4) . .
C62 C63 C58 120.0(3) . .
C62 C63 C64 116.8(4) . .
C64 C63 C58 123.2(4) . .
C63 C64 H64 119.4 . .
C65 C64 C63 121.1(4) . .
C65 C64 H64 119.4 . .
C64 C65 H65 119.2 . .
C64 C65 C66 121.6(4) . .
C66 C65 H65 119.2 . .
C65 C66 H66 120.2 . .
C67 C66 C65 119.6(4) . .
C67 C66 H66 120.2 . .
C62 C67 H67 119.8 . .
C66 C67 C62 120.4(5) . .
C66 C67 H67 119.8 . .
O13 C68 C47 117.9(3) . .
O14 C68 O13 123.7(3) . .
O14 C68 C47 118.3(3) . .
O17 C69 Gd2 62.00(18) . 2_655
O17 C69 C60 119.1(3) . .
O18 C69 Gd2 58.04(18) . 2_655
O18 C69 O17 120.0(3) . .
O18 C69 C60 120.9(3) . .
C60 C69 Gd2 177.7(3) . 2_655
O21 C70 N1 125.3(4) . .
O21 C70 H70 117.4 . .
N1 C70 H70 117.4 . .
N1 C71 H71A 109.5 . .
N1 C71 H71B 109.5 . .
N1 C71 H71C 109.5 . .
H71A C71 H71B 109.5 . .
H71A C71 H71C 109.5 . .
H71B C71 H71C 109.5 . .
N1 C72 H72A 109.5 . .
N1 C72 H72B 109.5 . .
N1 C72 H72C 109.5 . .
H72A C72 H72B 109.5 . .
H72A C72 H72C 109.5 . .
H72B C72 H72C 109.5 . .
O22 C73 N2 135.0(13) . .
O23 C76 N3 126.6(5) . .
O23 C76 H76 116.7 . .
N3 C76 H76 116.7 . .
N3 C77 H77A 109.5 . .
N3 C77 H77B 109.5 . .
N3 C77 H77C 109.5 . .
H77A C77 H77B 109.5 . .
H77A C77 H77C 109.5 . .
H77B C77 H77C 109.5 . .
N3 C78 H78A 109.5 . .
N3 C78 H78B 109.5 . .
N3 C78 H78C 109.5 . .
H78A C78 H78B 109.5 . .
H78A C78 H78C 109.5 . .
H78B C78 H78C 109.5 . .
O24 C79 N4 131.3(15) . .
O24 C79 H79 114.4 . .
O24A C79 O24 76.9(12) . .
O24A C79 N4 145.9(17) . .
O24A C79 H79A 107.1 . .
N4 C79 H79 114.4 . .
N4 C79 H79A 107.1 . .
H79 C79 H79A 122.6 . .
N4 C80 H80A 109.5 . .
N4 C80 H80B 109.5 . .
N4 C80 H80C 109.5 . .
H80A C80 H80B 109.5 . .
H80A C80 H80C 109.5 . .
H80B C80 H80C 109.5 . .
N4 C81 H81A 109.5 . .
N4 C81 H81B 109.5 . .
N4 C81 H81C 109.5 . .
H81A C81 H81B 109.5 . .
H81A C81 H81C 109.5 . .
H81B C81 H81C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Gd1 O2 2.341(3) .
Gd1 O6 2.382(3) 4_465
Gd1 O7 2.497(2) .
Gd1 O8 2.459(2) .
Gd1 O12 2.349(2) 2_745
Gd1 O13 2.377(3) .
Gd1 O21 2.375(3) .
Gd1 O22 2.485(3) .
Gd1 C45 2.860(3) .
Gd2 O1 2.364(2) .
Gd2 O1A 2.319(3) 4_465
Gd2 O11 2.372(3) 2_745
Gd2 O14 2.325(2) .
Gd2 O17 2.511(2) 2_645
Gd2 O18 2.425(3) 2_645
Gd2 O19 2.470(3) .
Gd2 O20 2.453(3) .
Gd2 C69 2.843(4) 2_645
O1 C22 1.250(4) .
O1A Gd2 2.319(3) 4_666
O1A C23 1.244(5) .
O2 C22 1.272(5) .
O3 H3 0.8200 .
O3 C2 1.359(4) .
O4 H4 0.8200 .
O4 C13 1.361(4) .
O6 Gd1 2.382(2) 4_666
O6 C23 1.266(5) .
O7 C45 1.270(4) .
O8 C45 1.264(4) .
O9 H9 0.74(5) .
O9 C25 1.361(4) .
O10 H10 0.8200 .
O10 C36 1.354(4) .
O11 Gd2 2.372(3) 2_755
O11 C46 1.268(4) .
O12 Gd1 2.349(2) 2_755
O12 C46 1.245(4) .
O13 C68 1.272(4) .
O14 C68 1.248(4) .
O15 H15 0.8200 .
O15 C48 1.370(4) .
O16 H16 0.8200 .
O16 C59 1.366(4) .
O17 Gd2 2.511(2) 2_655
O17 C69 1.279(4) .
O18 Gd2 2.425(3) 2_655
O18 C69 1.260(4) .
O19 H19A 0.9606 .
O19 H19B 0.9620 .
O20 H20A 0.8759 .
O20 H20B 0.8751 .
O21 C70 1.246(5) .
O22 C73 1.167(8) .
O23 C76 1.217(6) .
O24 C79 1.196(9) .
O24A C79 1.161(9) .
N1 C70 1.299(5) .
N1 C71 1.452(6) .
N1 C72 1.440(7) .
N2 C73 1.326(9) .
N2 C74 1.425(9) .
N2 C75 1.392(8) .
N3 C76 1.309(7) .
N3 C77 1.438(7) .
N3 C78 1.443(7) .
N4 C79 1.286(8) .
N4 C80 1.433(7) .
N4 C81 1.394(7) .
C1 C2 1.431(5) .
C1 C6 1.371(5) .
C1 C22 1.506(5) .
C2 C3 1.378(5) .
C3 C4 1.421(5) .
C3 C11 1.526(5) .
C4 C5 1.435(5) .
C4 C10 1.418(5) .
C5 C6 1.411(5) .
C5 C7 1.405(5) .
C6 H6 0.9300 .
C7 H7 0.9300 .
C7 C8 1.359(6) .
C8 H8 0.9300 .
C8 C9 1.398(6) .
C9 H9A 0.9300 .
C9 C10 1.361(5) .
C10 H10A 0.9300 .
C11 H11A 0.9700 .
C11 H11B 0.9700 .
C11 C12 1.521(5) .
C12 C13 1.388(4) .
C12 C17 1.426(5) .
C13 C14 1.429(5) .
C14 C15 1.364(5) .
C14 C23 1.489(5) .
C15 H15A 0.9300 .
C15 C16 1.401(5) .
C16 C17 1.413(5) .
C16 C21 1.417(6) .
C17 C18 1.423(5) .
C18 H18 0.9300 .
C18 C19 1.366(6) .
C19 H19 0.9300 .
C19 C20 1.381(7) .
C20 H20 0.9300 .
C20 C21 1.361(7) .
C21 H21 0.9300 .
C24 C25 1.436(5) .
C24 C29 1.367(5) .
C24 C45 1.487(5) .
C25 C26 1.383(5) .
C26 C27 1.428(5) .
C26 C34 1.525(5) .
C27 C28 1.431(5) .
C27 C30 1.418(5) .
C28 C29 1.398(5) .
C28 C33 1.411(6) .
C29 H29 0.9300 .
C30 H30 0.9300 .
C30 C31 1.357(6) .
C31 H31 0.9300 .
C31 C32 1.400(7) .
C32 H32 0.9300 .
C32 C33 1.353(6) .
C33 H33 0.9300 .
C34 H34A 0.9700 .
C34 H34B 0.9700 .
C34 C35 1.519(5) .
C35 C36 1.378(5) .
C35 C40 1.43(2) .
C35 C40A 1.41(3) .
C36 C37 1.426(5) .
C37 C38 1.35(4) .
C37 C38A 1.41(4) .
C37 C46 1.497(5) .
C38 H38 0.9300 .
C38 C39 1.41(4) .
C38A H38A 0.9300 .
C38A C39A 1.39(5) .
C39 C40 1.39(3) .
C39 C44 1.46(2) .
C39A C40A 1.45(4) .
C39A C44A 1.37(2) .
C40 C41 1.45(5) .
C40A C41A 1.40(5) .
C41 H41 0.9300 .
C41 C42 1.28(4) .
C41A H41A 0.9300 .
C41A C42A 1.47(5) .
C42 H42 0.9300 .
C42 C43 1.418(17) .
C42A H42A 0.9300 .
C42A C43A 1.364(19) .
C43 H43 0.9300 .
C43 C44 1.350(14) .
C43A H43A 0.9300 .
C43A C44A 1.356(16) .
C44 H44 0.9300 .
C44A H44A 0.9300 .
C47 C48 1.424(5) .
C47 C52 1.366(5) .
C47 C68 1.490(5) .
C48 C49 1.382(5) .
C49 C50 1.433(5) .
C49 C57 1.518(5) .
C50 C51 1.416(5) .
C50 C53 1.412(5) .
C51 C52 1.399(5) .
C51 C56 1.419(6) .
C52 H52 0.9300 .
C53 H53 0.9300 .
C53 C54 1.367(6) .
C54 H54 0.9300 .
C54 C55 1.394(7) .
C55 H55 0.9300 .
C55 C56 1.361(6) .
C56 H56 0.9300 .
C57 H57A 0.9700 .
C57 H57B 0.9700 .
C57 C58 1.520(5) .
C58 C59 1.380(5) .
C58 C63 1.426(5) .
C59 C60 1.423(5) .
C60 C61 1.362(5) .
C60 C69 1.494(5) .
C61 H61 0.9300 .
C61 C62 1.414(5) .
C62 C63 1.420(6) .
C62 C67 1.413(6) .
C63 C64 1.423(5) .
C64 H64 0.9300 .
C64 C65 1.357(6) .
C65 H65 0.9300 .
C65 C66 1.387(7) .
C66 H66 0.9300 .
C66 C67 1.367(6) .
C67 H67 0.9300 .
C69 Gd2 2.843(4) 2_655
C70 H70 0.9300 .
C71 H71A 0.9600 .
C71 H71B 0.9600 .
C71 H71C 0.9600 .
C72 H72A 0.9600 .
C72 H72B 0.9600 .
C72 H72C 0.9600 .
C76 H76 0.9300 .
C77 H77A 0.9600 .
C77 H77B 0.9600 .
C77 H77C 0.9600 .
C78 H78A 0.9600 .
C78 H78B 0.9600 .
C78 H78C 0.9600 .
C79 H79 0.9300 .
C79 H79A 0.9300 .
C80 H80A 0.9600 .
C80 H80B 0.9600 .
C80 H80C 0.9600 .
C81 H81A 0.9600 .
C81 H81B 0.9600 .
C81 H81C 0.9600 .
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
Gd1 O2 C22 O1 -17.5(8) .
Gd1 O2 C22 C1 162.7(4) .
Gd1 O6 C23 O1A -12.0(5) 4_666
Gd1 O6 C23 C14 166.8(2) 4_666
Gd1 O7 C45 O8 4.3(4) .
Gd1 O7 C45 C24 -175.4(3) .
Gd1 O8 C45 O7 -4.3(4) .
Gd1 O8 C45 C24 175.3(3) .
Gd1 O12 C46 O11 24.4(7) 2_755
Gd1 O12 C46 C37 -154.5(4) 2_755
Gd1 O13 C68 O14 27.3(6) .
Gd1 O13 C68 C47 -152.7(3) .
Gd1 O21 C70 N1 162.4(4) .
Gd1 O22 C73 N2 -116.7(16) .
Gd2 O1 C22 O2 4.2(7) .
Gd2 O1 C22 C1 -176.0(3) .
Gd2 O11 C46 O12 -10.0(6) 2_755
Gd2 O11 C46 C37 169.0(3) 2_755
Gd2 O14 C68 O13 -31.2(6) .
Gd2 O14 C68 C47 148.8(3) .
Gd2 O17 C69 O18 -1.6(4) 2_655
Gd2 O17 C69 C60 177.7(3) 2_655
Gd2 O18 C69 O17 1.7(4) 2_655
Gd2 O18 C69 C60 -177.6(3) 2_655
O1 Gd2 O14 C68 84.3(4) .
O1A Gd2 O1 C22 6.1(4) 4_465
O1A Gd2 O14 C68 -30.8(4) 4_465
O2 Gd1 O7 C45 -176.6(2) .
O2 Gd1 O8 C45 9.9(3) .
O2 Gd1 O13 C68 -75.4(4) .
O2 Gd1 O21 C70 -73.6(5) .
O2 Gd1 O22 C73 16.7(10) .
O2 Gd1 C45 O7 3.4(2) .
O2 Gd1 C45 O8 -172.3(2) .
O3 C2 C3 C4 -176.0(4) .
O3 C2 C3 C11 -0.4(6) .
O4 C13 C14 C15 174.3(3) .
O4 C13 C14 C23 -3.4(5) .
O6 Gd1 O2 C22 23.8(6) 4_465
O6 Gd1 O7 C45 -42.3(2) 4_465
O6 Gd1 O8 C45 150.4(2) 4_465
O6 Gd1 O13 C68 66.1(4) 4_465
O6 Gd1 O21 C70 132.6(5) 4_465
O6 Gd1 O22 C73 -118.6(9) 4_465
O6 Gd1 C45 O7 145.4(2) 4_465
O6 Gd1 C45 O8 -30.3(2) 4_465
O7 Gd1 O2 C22 151.4(5) .
O7 Gd1 O8 C45 2.4(2) .
O7 Gd1 O13 C68 -157.8(4) .
O7 Gd1 O21 C70 7.5(5) .
O7 Gd1 O22 C73 120.8(9) .
O7 Gd1 C45 O8 -175.7(4) .
O8 Gd1 O2 C22 145.4(5) .
O8 Gd1 O7 C45 -2.4(2) .
O8 Gd1 O13 C68 149.4(4) .
O8 Gd1 O21 C70 58.1(5) .
O8 Gd1 O22 C73 155.0(9) .
O8 Gd1 C45 O7 175.7(4) .
O9 C25 C26 C27 179.2(3) .
O9 C25 C26 C34 2.8(5) .
O10 C36 C37 C38 171.3(9) .
O10 C36 C37 C38A -170.1(11) .
O10 C36 C37 C46 3.8(6) .
O11 Gd2 O1 C22 71.2(4) 2_745
O11 Gd2 O14 C68 24.6(4) 2_745
O12 Gd1 O2 C22 -50.1(5) 2_745
O12 Gd1 O7 C45 143.7(2) 2_745
O12 Gd1 O8 C45 -138.3(2) 2_745
O12 Gd1 O13 C68 -12.6(4) 2_745
O12 Gd1 O21 C70 -149.9(5) 2_745
O12 Gd1 O22 C73 -25.4(9) 2_745
O12 Gd1 C45 O7 -84.5(4) 2_745
O12 Gd1 C45 O8 99.8(3) 2_745
O13 Gd1 O2 C22 78.4(5) .
O13 Gd1 O7 C45 -97.5(2) .
O13 Gd1 O8 C45 74.3(2) .
O13 Gd1 O21 C70 -18.8(6) .
O13 Gd1 O22 C73 -148.9(9) .
O13 Gd1 C45 O7 74.8(2) .
O13 Gd1 C45 O8 -100.9(2) .
O14 Gd2 O1 C22 -64.0(4) .
O15 C48 C49 C50 -178.5(4) .
O15 C48 C49 C57 2.6(6) .
O16 C59 C60 C61 -177.7(3) .
O16 C59 C60 C69 2.5(5) .
O17 Gd2 O1 C22 109.9(4) 2_645
O17 Gd2 O14 C68 -88.7(4) 2_645
O18 Gd2 O1 C22 151.7(4) 2_645
O18 Gd2 O14 C68 174.7(3) 2_645
O19 Gd2 O1 C22 -135.1(4) .
O19 Gd2 O14 C68 161.6(4) .
O20 Gd2 O1 C22 -116.2(4) .
O20 Gd2 O14 C68 -123.7(4) .
O21 Gd1 O2 C22 -135.0(5) .
O21 Gd1 O7 C45 100.5(2) .
O21 Gd1 O8 C45 -65.7(2) .
O21 Gd1 O13 C68 -131.2(4) .
O21 Gd1 O22 C73 61.2(9) .
O21 Gd1 C45 O7 -72.7(2) .
O21 Gd1 C45 O8 111.6(2) .
O22 Gd1 O2 C22 -92.3(5) .
O22 Gd1 O7 C45 40.8(2) .
O22 Gd1 O8 C45 -137.5(2) .
O22 Gd1 O13 C68 95.6(4) .
O22 Gd1 O21 C70 132.4(5) .
O22 Gd1 C45 O7 -143.6(2) .
O22 Gd1 C45 O8 40.8(2) .
C1 C2 C3 C4 4.3(6) .
C1 C2 C3 C11 179.9(4) .
C2 C1 C6 C5 -1.9(6) .
C2 C1 C22 O1 -178.4(4) .
C2 C1 C22 O2 1.4(6) .
C2 C3 C4 C5 -5.8(5) .
C2 C3 C4 C10 172.9(4) .
C2 C3 C11 C12 117.3(4) .
C3 C4 C5 C6 3.6(5) .
C3 C4 C5 C7 -179.7(4) .
C3 C4 C10 C9 -179.5(4) .
C3 C11 C12 C13 117.4(4) .
C3 C11 C12 C17 -65.9(4) .
C4 C3 C11 C12 -67.2(5) .
C4 C5 C6 C1 0.4(6) .
C4 C5 C7 C8 -0.3(6) .
C5 C4 C10 C9 -0.7(6) .
C5 C7 C8 C9 -1.6(7) .
C6 C1 C2 O3 179.8(4) .
C6 C1 C2 C3 -0.5(6) .
C6 C1 C22 O1 2.5(6) .
C6 C1 C22 O2 -177.8(4) .
C6 C5 C7 C8 176.3(4) .
C7 C5 C6 C1 -176.3(4) .
C7 C8 C9 C10 2.4(7) .
C8 C9 C10 C4 -1.2(7) .
C10 C4 C5 C6 -175.3(3) .
C10 C4 C5 C7 1.5(5) .
C11 C3 C4 C5 178.7(3) .
C11 C3 C4 C10 -2.6(6) .
C11 C12 C13 O4 6.7(5) .
C11 C12 C13 C14 -171.2(3) .
C11 C12 C17 C16 176.2(3) .
C11 C12 C17 C18 -7.4(5) .
C12 C13 C14 C15 -7.8(5) .
C12 C13 C14 C23 174.5(3) .
C12 C17 C18 C19 -173.3(4) .
C13 C12 C17 C16 -7.0(5) .
C13 C12 C17 C18 169.4(3) .
C13 C14 C15 C16 -1.7(6) .
C13 C14 C23 O1A -164.1(3) .
C13 C14 C23 O6 17.0(5) .
C14 C15 C16 C17 6.5(6) .
C14 C15 C16 C21 -169.6(4) .
C15 C14 C23 O1A 18.2(5) .
C15 C14 C23 O6 -160.6(4) .
C15 C16 C17 C12 -2.1(6) .
C15 C16 C17 C18 -178.6(4) .
C15 C16 C21 C20 176.5(4) .
C16 C17 C18 C19 3.2(6) .
C17 C12 C13 O4 -170.1(3) .
C17 C12 C13 C14 12.0(5) .
C17 C16 C21 C20 0.4(7) .
C17 C18 C19 C20 -1.8(7) .
C18 C19 C20 C21 -0.4(8) .
C19 C20 C21 C16 1.1(8) .
C21 C16 C17 C12 174.0(4) .
C21 C16 C17 C18 -2.5(6) .
C22 C1 C2 O3 0.7(6) .
C22 C1 C2 C3 -179.6(4) .
C22 C1 C6 C5 177.3(4) .
C23 C14 C15 C16 176.0(4) .
C24 C25 C26 C27 0.5(5) .
C24 C25 C26 C34 -175.9(3) .
C25 C24 C29 C28 -1.2(6) .
C25 C24 C45 O7 4.5(5) .
C25 C24 C45 O8 -175.1(3) .
C25 C26 C27 C28 -1.1(5) .
C25 C26 C27 C30 179.2(4) .
C25 C26 C34 C35 -122.5(4) .
C26 C27 C28 C29 0.6(5) .
C26 C27 C28 C33 -179.1(4) .
C26 C27 C30 C31 -177.5(4) .
C26 C34 C35 C36 -119.3(4) .
C26 C34 C35 C40 52.2(9) .
C26 C34 C35 C40A 68.4(10) .
C27 C26 C34 C35 61.2(5) .
C27 C28 C29 C24 0.6(6) .
C27 C28 C33 C32 -3.9(6) .
C27 C30 C31 C32 -3.1(7) .
C28 C27 C30 C31 2.8(6) .
C29 C24 C25 O9 -178.0(3) .
C29 C24 C25 C26 0.7(5) .
C29 C24 C45 O7 -176.5(3) .
C29 C24 C45 O8 3.9(5) .
C29 C28 C33 C32 176.4(4) .
C30 C27 C28 C29 -179.7(3) .
C30 C27 C28 C33 0.6(5) .
C30 C31 C32 C33 -0.3(7) .
C31 C32 C33 C28 3.8(7) .
C33 C28 C29 C24 -179.7(4) .
C34 C26 C27 C28 175.2(3) .
C34 C26 C27 C30 -4.5(6) .
C34 C35 C36 O10 -3.0(6) .
C34 C35 C36 C37 174.2(4) .
C34 C35 C40 C39 -171.4(9) .
C34 C35 C40 C41 12(2) .
C34 C35 C40A C39A -179.7(9) .
C34 C35 C40A C41A -5(2) .
C35 C36 C37 C38 -5.9(10) .
C35 C36 C37 C38A 12.7(12) .
C35 C36 C37 C46 -173.3(4) .
C35 C40 C41 C42 -175(2) .
C35 C40A C41A C42A -177.8(16) .
C36 C35 C40 C39 0.0(15) .
C36 C35 C40 C41 -176.6(17) .
C36 C35 C40A C39A 7.9(17) .
C36 C35 C40A C41A -177.4(16) .
C36 C37 C38 C39 6.6(18) .
C36 C37 C38A C39A -7(2) .
C36 C37 C46 O11 4.9(5) .
C36 C37 C46 O12 -176.1(4) .
C37 C38 C39 C40 -4(2) .
C37 C38 C39 C44 178.6(11) .
C37 C38A C39A C40A 2(3) .
C37 C38A C39A C44A -179.2(14) .
C38 C37 C38A C39A 80(10) .
C38 C37 C46 O11 -162.1(9) .
C38 C37 C46 O12 16.9(10) .
C38 C39 C40 C35 0.5(18) .
C38 C39 C40 C41 177.4(17) .
C38 C39 C44 C43 177.4(13) .
C38A C37 C38 C39 -95(11) .
C38A C37 C46 O11 178.8(11) .
C38A C37 C46 O12 -2.2(12) .
C38A C39A C40A C35 -2(2) .
C38A C39A C40A C41A -177(2) .
C38A C39A C44A C43A 178.6(15) .
C39 C40 C41 C42 8(4) .
C39A C40A C41A C42A -3(3) .
C40 C35 C36 O10 -174.5(8) .
C40 C35 C36 C37 2.7(9) .
C40 C35 C40A C39A -87(9) .
C40 C35 C40A C41A 87(9) .
C40 C39 C44 C43 0.0(16) .
C40 C41 C42 C43 -5(4) .
C40A C35 C36 O10 169.5(9) .
C40A C35 C36 C37 -13.3(10) .
C40A C35 C40 C39 93(9) .
C40A C35 C40 C41 -84(9) .
C40A C39A C44A C43A -2.3(19) .
C40A C41A C42A C43A 1(3) .
C41 C42 C43 C44 -1(2) .
C41A C42A C43A C44A 1(2) .
C42 C43 C44 C39 3.6(17) .
C42A C43A C44A C39A 0(2) .
C44 C39 C40 C35 177.9(10) .
C44 C39 C40 C41 -5(2) .
C44A C39A C40A C35 178.7(12) .
C44A C39A C40A C41A 4(3) .
C45 Gd1 O2 C22 149.8(5) .
C45 Gd1 O13 C68 175.3(4) .
C45 Gd1 O21 C70 34.0(5) .
C45 Gd1 O22 C73 137.7(9) .
C45 C24 C25 O9 1.0(5) .
C45 C24 C25 C26 179.7(3) .
C45 C24 C29 C28 179.7(3) .
C46 C37 C38 C39 174.3(11) .
C46 C37 C38A C39A 179.2(13) .
C47 C48 C49 C50 2.1(6) .
C47 C48 C49 C57 -176.8(4) .
C48 C47 C52 C51 0.6(6) .
C48 C47 C68 O13 -20.2(5) .
C48 C47 C68 O14 159.8(4) .
C48 C49 C50 C51 -2.2(6) .
C48 C49 C50 C53 177.6(4) .
C48 C49 C57 C58 118.3(4) .
C49 C50 C51 C52 1.6(6) .
C49 C50 C51 C56 -178.3(4) .
C49 C50 C53 C54 178.4(4) .
C49 C57 C58 C59 119.1(4) .
C49 C57 C58 C63 -59.4(5) .
C50 C49 C57 C58 -60.6(5) .
C50 C51 C52 C47 -0.8(7) .
C50 C51 C56 C55 -0.3(8) .
C50 C53 C54 C55 0.1(7) .
C51 C50 C53 C54 -1.7(6) .
C52 C47 C48 O15 179.4(4) .
C52 C47 C48 C49 -1.3(6) .
C52 C47 C68 O13 156.3(4) .
C52 C47 C68 O14 -23.7(5) .
C52 C51 C56 C55 179.8(5) .
C53 C50 C51 C52 -178.3(4) .
C53 C50 C51 C56 1.8(6) .
C53 C54 C55 C56 1.4(8) .
C54 C55 C56 C51 -1.3(8) .
C56 C51 C52 C47 179.1(4) .
C57 C49 C50 C51 176.6(4) .
C57 C49 C50 C53 -3.5(6) .
C57 C58 C59 O16 1.6(5) .
C57 C58 C59 C60 -177.6(3) .
C57 C58 C63 C62 174.2(3) .
C57 C58 C63 C64 -7.7(5) .
C58 C59 C60 C61 1.4(6) .
C58 C59 C60 C69 -178.4(3) .
C58 C63 C64 C65 176.7(4) .
C59 C58 C63 C62 -4.3(5) .
C59 C58 C63 C64 173.8(3) .
C59 C60 C61 C62 -0.4(6) .
C59 C60 C69 O17 4.0(5) .
C59 C60 C69 O18 -176.7(3) .
C60 C61 C62 C63 -2.9(6) .
C60 C61 C62 C67 178.6(4) .
C61 C60 C69 O17 -175.8(4) .
C61 C60 C69 O18 3.5(6) .
C61 C62 C63 C58 5.3(6) .
C61 C62 C63 C64 -173.0(4) .
C61 C62 C67 C66 176.8(4) .
C62 C63 C64 C65 -5.1(6) .
C63 C58 C59 O16 -179.9(3) .
C63 C58 C59 C60 0.9(5) .
C63 C62 C67 C66 -1.6(7) .
C63 C64 C65 C66 0.7(7) .
C64 C65 C66 C67 3.5(7) .
C65 C66 C67 C62 -3.0(7) .
C67 C62 C63 C58 -176.3(4) .
C67 C62 C63 C64 5.5(6) .
C68 C47 C48 O15 -4.2(6) .
C68 C47 C48 C49 175.2(4) .
C68 C47 C52 C51 -176.0(4) .
C69 Gd2 O1 C22 135.3(4) 2_645
C69 Gd2 O14 C68 -135.8(4) 2_645
C69 C60 C61 C62 179.4(4) .
C71 N1 C70 O21 -176.6(5) .
C72 N1 C70 O21 0.5(8) .
C74 N2 C73 O22 -172.1(15) .
C75 N2 C73 O22 5(2) .
C77 N3 C76 O23 -0.2(10) .
C78 N3 C76 O23 176.4(6) .
C80 N4 C79 O24 20(3) .
C80 N4 C79 O24A 159(3) .
C81 N4 C79 O24 -161.3(18) .
C81 N4 C79 O24A -22(4) .
