#------------------------------------------------------------------------------
#$Date: 2021-06-23 12:38:53 +0300 (Wed, 23 Jun 2021) $
#$Revision: 266638 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/36/1563663.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_1563663
loop_
_publ_author_name
'Zhou, Na'
'Ma, Yue'
'Wang, Chao'
'Xu, Gong-Feng'
'Tang, Jinkui'
'Yan, Shi-Ping'
'Liao, Dai-Zheng'
_publ_section_title
;
 Two tri-spin complexes based on gadolinium and nitronyl nitroxide
 radicals: Structure and ferromagnetic interactions
;
_journal_issue                   4
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              927
_journal_page_last               932
_journal_paper_doi               10.1016/j.jssc.2010.02.012
_journal_volume                  183
_journal_year                    2010
_chemical_formula_sum            'C45 H45 F18 Gd N4 O12'
_chemical_formula_weight         1333.10
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_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                98.04(3)
_cell_angle_beta                 103.78(3)
_cell_angle_gamma                111.71(3)
_cell_formula_units_Z            2
_cell_length_a                   12.293(3)
_cell_length_b                   14.315(3)
_cell_length_c                   17.624(3)
_cell_measurement_reflns_used    23945
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.92
_cell_measurement_theta_min      3.095
_cell_volume                     2707.7(14)
_computing_cell_refinement       crystalclear
_computing_data_collection       crystalclear
_computing_data_reduction        crystalclear
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'rigaku saturn'
_diffrn_measurement_method       'ω 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  0.0462
_diffrn_reflns_av_sigmaI/netI    0.0630
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            27452
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.09
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.347
_exptl_absorpt_correction_T_max  0.8403
_exptl_absorpt_correction_T_min  0.7532
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   crystalclear
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.642
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1334
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.643
_refine_diff_density_min         -0.727
_refine_diff_density_rms         0.090
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.058
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     843
_refine_ls_number_reflns         12361
_refine_ls_number_restraints     344
_refine_ls_restrained_S_all      1.127
_refine_ls_R_factor_all          0.0629
_refine_ls_R_factor_gt           0.0476
_refine_ls_shift/su_max          0.070
_refine_ls_shift/su_mean         0.003
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0472P)²+0.9793P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1011
_refine_ls_wR_factor_ref         0.1074
_reflns_number_gt                10348
_reflns_number_total             12361
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            JSSC-2010-183-927.cif
_cod_data_source_block           c081110c-gd
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'MULTI-SCAN' was
changed to 'multi-scan' in accordance with the built-in table derived
from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last
updated on 2014-11-21.

data item '_refine_ls_hydrogen_treatment' value 'CONSTR' was changed
to 'constr' in accordance with the built-in table derived from the
CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated
on 2014-11-21.

data item '_symmetry_cell_setting' value 'Triclinic' was changed to
'triclinic' in accordance with the built-in table derived from the
CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated
on 2014-11-21.

Automatic conversion script
Id: cif_fix_values 8369 2020-08-20 11:38:08Z andrius 
;
_cod_original_cell_volume        2707.7(10)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               1563663
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 0.544033(11) 0.744952(9) 0.292836(8) 0.03401(4) Uani 1 1 d . A .
F1 F 0.8072(4) 0.6589(3) 0.1577(3) 0.0977(17) Uani 0.536(3) 1 d PDU A 1
F2 F 0.7792(4) 0.5343(3) 0.2068(3) 0.0954(16) Uani 0.536(3) 1 d PDU A 1
F3 F 0.6841(4) 0.5137(4) 0.0802(3) 0.1076(17) Uani 0.536(3) 1 d PDU A 1
F1' F 0.8141(4) 0.5878(5) 0.2167(3) 0.099(2) Uani 0.464(3) 1 d PDU A 2
F2' F 0.6906(4) 0.4722(3) 0.1180(4) 0.0949(18) Uani 0.464(3) 1 d PDU A 2
F3' F 0.7596(5) 0.6328(5) 0.1136(4) 0.110(2) Uani 0.464(3) 1 d PU A 2
F4 F 0.2141(2) 0.47227(17) 0.05148(15) 0.0873(8) Uani 1 1 d U A .
F5 F 0.1969(2) 0.40756(19) 0.14834(15) 0.0963(9) Uani 1 1 d U A .
F6 F 0.26861(19) 0.35179(16) 0.06530(16) 0.0928(9) Uani 1 1 d U A .
F7 F 0.2101(2) 0.5929(3) 0.40853(18) 0.1283(12) Uani 1 1 d U . .
F8 F 0.3069(2) 0.6680(2) 0.52999(15) 0.1250(11) Uani 1 1 d DU . .
F9 F 0.3452(3) 0.5530(2) 0.47218(18) 0.1258(10) Uani 1 1 d U . .
F10 F 0.6827(4) 1.0624(3) 0.5077(3) 0.1159(16) Uani 0.691(3) 1 d PU B 3
F11 F 0.7730(3) 0.9856(3) 0.5726(3) 0.1083(15) Uani 0.691(3) 1 d PDU B 3
F12 F 0.6182(4) 0.9938(3) 0.5960(2) 0.1281(16) Uani 0.691(3) 1 d PDU B 3
F10' F 0.6074(6) 1.0281(5) 0.5685(5) 0.092(3) Uani 0.309(3) 1 d PDU B 4
F11' F 0.7733(6) 1.0294(7) 0.5348(6) 0.108(3) Uani 0.309(3) 1 d PDU B 4
F12' F 0.7041(9) 0.9470(7) 0.6074(4) 0.123(3) Uani 0.309(3) 1 d PDU B 4
F13 F 0.9183(4) 1.0591(3) 0.3385(3) 0.1143(18) Uani 0.634(3) 1 d PDU C 5
F14 F 0.9392(4) 1.0424(4) 0.2246(3) 0.130(2) Uani 0.634(3) 1 d PDU C 5
F15 F 0.9766(3) 0.9459(3) 0.2998(3) 0.1180(18) Uani 0.634(3) 1 d PDU C 5
F13' F 0.9585(6) 1.0071(6) 0.3519(4) 0.102(3) Uani 0.366(3) 1 d PDU C 6
F14' F 0.9237(6) 1.0777(4) 0.2585(5) 0.094(2) Uani 0.366(3) 1 d PDU C 6
F15' F 0.9719(5) 0.9558(6) 0.2380(5) 0.112(3) Uani 0.366(3) 1 d PDU C 6
F16 F 0.4246(4) 0.7618(4) 0.0078(2) 0.0910(15) Uani 0.622(3) 1 d PU C 7
F17 F 0.5964(4) 0.8643(3) 0.0055(2) 0.0902(15) Uani 0.622(3) 1 d PU C 7
F18 F 0.5589(4) 0.7062(3) 0.0035(2) 0.1004(14) Uani 0.622(3) 1 d PDU C 7
F16' F 0.4441(5) 0.8091(5) 0.0131(4) 0.082(2) Uani 0.378(3) 1 d PDU C 8
F17' F 0.6176(6) 0.8212(7) -0.0038(4) 0.109(3) Uani 0.378(3) 1 d PDU C 8
F18' F 0.4899(7) 0.6828(5) 0.0055(4) 0.092(2) Uani 0.378(3) 1 d PU C 8
C1 C 0.3582(2) 0.8937(2) 0.16407(18) 0.0418(8) Uani 1 1 d . . .
C2 C 0.1524(3) 0.7701(2) 0.0944(2) 0.0559(10) Uani 1 1 d . . .
C3 C 0.1573(4) 0.6868(3) 0.0340(2) 0.0840(16) Uani 1 1 d . . .
H3A H 0.1474 0.7033 -0.0175 0.126 Uiso 1 1 calc R . .
H3B H 0.0922 0.6209 0.0288 0.126 Uiso 1 1 calc R . .
H3C H 0.2355 0.6834 0.0523 0.126 Uiso 1 1 calc R . .
C4 C 0.0317(3) 0.7790(3) 0.0651(3) 0.0881(15) Uani 1 1 d . . .
H4A H 0.0338 0.8379 0.1000 0.132 Uiso 1 1 calc R . .
H4B H -0.0346 0.7170 0.0656 0.132 Uiso 1 1 calc R . .
H4C H 0.0191 0.7876 0.0111 0.132 Uiso 1 1 calc R . .
C5 C 0.1896(2) 0.7619(2) 0.18067(19) 0.0460(9) Uani 1 1 d . . .
C6 C 0.1587(3) 0.6534(2) 0.1909(2) 0.0646(12) Uani 1 1 d . . .
H6A H 0.1953 0.6205 0.1601 0.097 Uiso 1 1 calc R . .
H6B H 0.0707 0.6142 0.1722 0.097 Uiso 1 1 calc R . .
H6C H 0.1902 0.6562 0.2469 0.097 Uiso 1 1 calc R . .
C7 C 0.1468(3) 0.8201(3) 0.2371(2) 0.0696(12) Uani 1 1 d . . .
H7A H 0.1917 0.8283 0.2920 0.104 Uiso 1 1 calc R . .
H7B H 0.0603 0.7815 0.2278 0.104 Uiso 1 1 calc R . .
H7C H 0.1615 0.8873 0.2271 0.104 Uiso 1 1 calc R . .
C8 C 0.4746(2) 0.9814(2) 0.18509(18) 0.0413(8) Uani 1 1 d . . .
C9 C 0.5154(3) 1.0249(2) 0.1270(2) 0.0559(10) Uani 1 1 d . . .
H9 H 0.4674 0.9967 0.0731 0.067 Uiso 1 1 calc R . .
C10 C 0.6266(3) 1.1098(3) 0.1481(2) 0.0633(11) Uani 1 1 d . . .
H10 H 0.6541 1.1379 0.1081 0.076 Uiso 1 1 calc R . .
C11 C 0.6972(3) 1.1534(2) 0.2273(2) 0.0568(10) Uani 1 1 d . . .
C12 C 0.6570(3) 1.1096(3) 0.2850(2) 0.0578(11) Uani 1 1 d . . .
H12 H 0.7047 1.1383 0.3390 0.069 Uiso 1 1 calc R . .
C13 C 0.5490(3) 1.0253(2) 0.2648(2) 0.0492(9) Uani 1 1 d . . .
H13 H 0.5239 0.9961 0.3050 0.059 Uiso 1 1 calc R . .
C14 C 0.8536(4) 1.2861(3) 0.1991(3) 0.0984(17) Uani 1 1 d . . .
H14A H 0.7960 1.3092 0.1687 0.118 Uiso 1 1 calc R . .
H14B H 0.8662 1.2377 0.1616 0.118 Uiso 1 1 calc R . .
C15 C 0.9723(4) 1.3760(4) 0.2442(4) 0.130(2) Uani 1 1 d . . .
H15A H 0.9592 1.4222 0.2824 0.195 Uiso 1 1 calc R . .
H15B H 1.0050 1.4122 0.2071 0.195 Uiso 1 1 calc R . .
H15C H 1.0296 1.3520 0.2724 0.195 Uiso 1 1 calc R . .
C16 C 0.7177(2) 0.5620(2) 0.38393(17) 0.0406(7) Uani 1 1 d . . .
C17 C 0.9291(3) 0.6682(3) 0.4531(2) 0.0572(10) Uani 1 1 d . . .
C18 C 0.9920(3) 0.7042(3) 0.3931(3) 0.0833(14) Uani 1 1 d . . .
H18A H 1.0186 0.6536 0.3725 0.125 Uiso 1 1 calc R . .
H18B H 1.0623 0.7694 0.4188 0.125 Uiso 1 1 calc R . .
H18C H 0.9356 0.7127 0.3495 0.125 Uiso 1 1 calc R . .
C19 C 1.0183(3) 0.6641(3) 0.5269(3) 0.0903(15) Uani 1 1 d . . .
H19A H 0.9767 0.6445 0.5657 0.135 Uiso 1 1 calc R . .
H19B H 1.0861 0.7312 0.5503 0.135 Uiso 1 1 calc R . .
H19C H 1.0487 0.6139 0.5116 0.135 Uiso 1 1 calc R . .
C20 C 0.8505(3) 0.7262(2) 0.4715(2) 0.0504(9) Uani 1 1 d . . .
C21 C 0.8932(3) 0.8347(2) 0.4611(2) 0.0682(12) Uani 1 1 d . . .
H21A H 0.8904 0.8331 0.4060 0.102 Uiso 1 1 calc R . .
H21B H 0.9762 0.8756 0.4960 0.102 Uiso 1 1 calc R . .
H21C H 0.8402 0.8650 0.4745 0.102 Uiso 1 1 calc R . .
C22 C 0.8268(3) 0.7226(3) 0.5508(2) 0.0675(12) Uani 1 1 d . . .
H22A H 0.7643 0.7469 0.5532 0.101 Uiso 1 1 calc R . .
H22B H 0.9014 0.7662 0.5940 0.101 Uiso 1 1 calc R . .
H22C H 0.7994 0.6524 0.5561 0.101 Uiso 1 1 calc R . .
C23 C 0.6059(3) 0.4718(2) 0.33900(19) 0.0447(8) Uani 1 1 d . . .
C24 C 0.4936(3) 0.4661(2) 0.3459(2) 0.0541(9) Uani 1 1 d . . .
H24 H 0.4916 0.5217 0.3789 0.065 Uiso 1 1 calc R . .
C25 C 0.3865(3) 0.3810(3) 0.3056(2) 0.0616(11) Uani 1 1 d . . .
H25 H 0.3124 0.3788 0.3114 0.074 Uiso 1 1 calc R . .
C26 C 0.3876(3) 0.2985(3) 0.2563(2) 0.0669(12) Uani 1 1 d . . .
C27 C 0.4971(3) 0.3017(3) 0.2493(2) 0.0685(12) Uani 1 1 d . . .
H27 H 0.4985 0.2458 0.2162 0.082 Uiso 1 1 calc R . .
C28 C 0.6054(3) 0.3874(2) 0.2912(2) 0.0584(10) Uani 1 1 d . . .
H28 H 0.6797 0.3880 0.2869 0.070 Uiso 1 1 calc R . .
C29 C 0.2626(4) 0.1414(3) 0.1552(3) 0.105(2) Uani 1 1 d . . .
H29A H 0.2915 0.0937 0.1780 0.126 Uiso 1 1 calc R . .
H29B H 0.3117 0.1705 0.1216 0.126 Uiso 1 1 calc R . .
C30 C 0.1330(5) 0.0866(4) 0.1070(4) 0.127(2) Uani 1 1 d U . .
H30A H 0.0898 0.0387 0.1340 0.190 Uiso 1 1 calc R . .
H30B H 0.1260 0.0492 0.0551 0.190 Uiso 1 1 calc R . .
H30C H 0.0979 0.1358 0.1002 0.190 Uiso 1 1 calc R . .
C31 C 0.7186(3) 0.5691(3) 0.1540(2) 0.0677(12) Uani 1 1 d D . .
C32 C 0.6150(3) 0.5836(2) 0.17883(17) 0.0428(8) Uani 1 1 d . A .
C33 C 0.4963(3) 0.5120(2) 0.13687(19) 0.0505(9) Uani 1 1 d . . .
H33 H 0.4835 0.4578 0.0950 0.061 Uiso 1 1 calc R A .
C34 C 0.3966(3) 0.5184(2) 0.15503(18) 0.0425(8) Uani 1 1 d . A .
C35 C 0.2679(3) 0.4356(3) 0.1043(2) 0.0567(10) Uani 1 1 d . . .
C36 C 0.3183(3) 0.6306(3) 0.4619(2) 0.0700(11) Uani 1 1 d D . .
C37 C 0.4157(2) 0.7100(2) 0.43733(18) 0.0435(8) Uani 1 1 d . A .
C38 C 0.4945(3) 0.8018(3) 0.4927(2) 0.0605(11) Uani 1 1 d . . .
H38 H 0.4877 0.8125 0.5443 0.073 Uiso 1 1 calc R . .
C39 C 0.5832(3) 0.8784(2) 0.4746(2) 0.0520(9) Uani 1 1 d . A .
C40 C 0.6644(3) 0.9791(3) 0.5394(2) 0.0923(16) Uani 1 1 d D . .
C41 C 0.9039(3) 0.9882(3) 0.2752(2) 0.0822(15) Uani 1 1 d D . .
C42 C 0.7705(3) 0.9106(2) 0.2422(2) 0.0481(9) Uani 1 1 d . A .
C43 C 0.7139(3) 0.8817(3) 0.1612(2) 0.0565(10) Uani 1 1 d . . .
H43 H 0.7593 0.9098 0.1283 0.068 Uiso 1 1 calc R C .
C44 C 0.5927(3) 0.8128(2) 0.12597(18) 0.0467(8) Uani 1 1 d . A .
C45 C 0.5391(3) 0.7839(3) 0.0345(2) 0.0677(12) Uani 1 1 d D . .
N1 N 0.32523(19) 0.82362(17) 0.20572(14) 0.0379(6) Uani 1 1 d . . .
N2 N 0.2563(2) 0.86981(19) 0.09990(16) 0.0525(8) Uani 1 1 d . . .
N3 N 0.7303(2) 0.65728(17) 0.40819(14) 0.0405(6) Uani 1 1 d . . .
N4 N 0.8310(2) 0.56252(19) 0.41162(17) 0.0518(7) Uani 1 1 d . . .
O1 O 0.39800(15) 0.81671(14) 0.26872(11) 0.0388(5) Uani 1 1 d . . .
O2 O 0.2510(2) 0.9166(2) 0.04555(16) 0.0814(9) Uani 1 1 d . . .
O3 O 0.8073(2) 1.2382(2) 0.25512(17) 0.0799(9) Uani 1 1 d . . .
O4 O 0.64298(16) 0.68913(14) 0.39373(12) 0.0427(5) Uani 1 1 d . . .
O5 O 0.8561(2) 0.48543(19) 0.39820(18) 0.0777(9) Uani 1 1 d . . .
O6 O 0.2743(3) 0.2198(2) 0.2162(2) 0.0945(11) Uani 1 1 d . . .
O7 O 0.65080(16) 0.65985(14) 0.23499(12) 0.0415(5) Uani 1 1 d . . .
O8 O 0.39620(16) 0.58497(14) 0.20714(12) 0.0413(5) Uani 1 1 d . . .
O9 O 0.41156(16) 0.67963(14) 0.36793(11) 0.0410(5) Uani 1 1 d . . .
O10 O 0.60592(17) 0.87770(14) 0.41059(12) 0.0450(6) Uani 1 1 d . . .
O11 O 0.72608(18) 0.87847(15) 0.29473(12) 0.0460(6) Uani 1 1 d . . .
O12 O 0.51867(17) 0.76788(15) 0.15908(11) 0.0432(6) Uani 1 1 d . . .
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 -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 '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
O4 Gd1 O11 93.96(8) . .
O4 Gd1 O8 100.25(7) . .
O11 Gd1 O8 138.36(8) . .
O4 Gd1 O9 71.30(7) . .
O11 Gd1 O9 145.21(7) . .
O8 Gd1 O9 76.25(7) . .
O4 Gd1 O10 76.22(8) . .
O11 Gd1 O10 72.93(8) . .
O8 Gd1 O10 148.50(8) . .
O9 Gd1 O10 72.99(7) . .
O4 Gd1 O1 139.68(7) . .
O11 Gd1 O1 103.64(7) . .
O8 Gd1 O1 90.28(7) . .
O9 Gd1 O1 73.76(7) . .
O10 Gd1 O1 74.86(7) . .
O4 Gd1 O12 146.31(8) . .
O11 Gd1 O12 72.38(8) . .
O8 Gd1 O12 74.28(7) . .
O9 Gd1 O12 135.65(7) . .
O10 Gd1 O12 125.41(7) . .
O1 Gd1 O12 74.01(8) . .
O4 Gd1 O7 72.98(7) . .
O11 Gd1 O7 74.76(7) . .
O8 Gd1 O7 72.48(7) . .
O9 Gd1 O7 126.51(7) . .
O10 Gd1 O7 133.02(7) . .
O1 Gd1 O7 146.49(7) . .
O12 Gd1 O7 73.72(8) . .
N1 C1 N2 106.3(2) . .
N1 C1 C8 126.9(3) . .
N2 C1 C8 126.6(3) . .
N2 C2 C4 109.4(3) . .
N2 C2 C3 106.5(3) . .
C4 C2 C3 110.1(3) . .
N2 C2 C5 100.1(2) . .
C4 C2 C5 116.1(3) . .
C3 C2 C5 113.6(3) . .
C2 C3 H3A 109.5 . .
C2 C3 H3B 109.5 . .
H3A C3 H3B 109.5 . .
C2 C3 H3C 109.5 . .
H3A C3 H3C 109.5 . .
H3B C3 H3C 109.5 . .
C2 C4 H4A 109.5 . .
C2 C4 H4B 109.5 . .
H4A C4 H4B 109.5 . .
C2 C4 H4C 109.5 . .
H4A C4 H4C 109.5 . .
H4B C4 H4C 109.5 . .
N1 C5 C6 111.0(3) . .
N1 C5 C2 100.8(3) . .
C6 C5 C2 115.5(3) . .
N1 C5 C7 104.3(2) . .
C6 C5 C7 110.3(3) . .
C2 C5 C7 113.9(3) . .
C5 C6 H6A 109.5 . .
C5 C6 H6B 109.5 . .
H6A C6 H6B 109.5 . .
C5 C6 H6C 109.5 . .
H6A C6 H6C 109.5 . .
H6B C6 H6C 109.5 . .
C5 C7 H7A 109.5 . .
C5 C7 H7B 109.5 . .
H7A C7 H7B 109.5 . .
C5 C7 H7C 109.5 . .
H7A C7 H7C 109.5 . .
H7B C7 H7C 109.5 . .
C9 C8 C13 118.0(3) . .
C9 C8 C1 121.0(3) . .
C13 C8 C1 121.0(3) . .
C8 C9 C10 120.4(3) . .
C8 C9 H9 119.8 . .
C10 C9 H9 119.8 . .
C11 C10 C9 120.5(3) . .
C11 C10 H10 119.7 . .
C9 C10 H10 119.7 . .
O3 C11 C12 115.5(3) . .
O3 C11 C10 125.6(3) . .
C12 C11 C10 119.0(3) . .
C13 C12 C11 120.9(3) . .
C13 C12 H12 119.6 . .
C11 C12 H12 119.6 . .
C12 C13 C8 121.1(3) . .
C12 C13 H13 119.4 . .
C8 C13 H13 119.4 . .
O3 C14 C15 107.6(4) . .
O3 C14 H14A 110.2 . .
C15 C14 H14A 110.2 . .
O3 C14 H14B 110.2 . .
C15 C14 H14B 110.2 . .
H14A C14 H14B 108.5 . .
C14 C15 H15A 109.5 . .
C14 C15 H15B 109.5 . .
H15A C15 H15B 109.5 . .
C14 C15 H15C 109.5 . .
H15A C15 H15C 109.5 . .
H15B C15 H15C 109.5 . .
N3 C16 N4 107.1(2) . .
N3 C16 C23 127.6(3) . .
N4 C16 C23 125.3(3) . .
N4 C17 C18 106.2(3) . .
N4 C17 C19 109.9(3) . .
C18 C17 C19 111.2(3) . .
N4 C17 C20 100.5(2) . .
C18 C17 C20 113.4(3) . .
C19 C17 C20 114.7(3) . .
C17 C18 H18A 109.5 . .
C17 C18 H18B 109.5 . .
H18A C18 H18B 109.5 . .
C17 C18 H18C 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
C17 C19 H19A 109.5 . .
C17 C19 H19B 109.5 . .
H19A C19 H19B 109.5 . .
C17 C19 H19C 109.5 . .
H19A C19 H19C 109.5 . .
H19B C19 H19C 109.5 . .
N3 C20 C22 105.9(3) . .
N3 C20 C21 110.1(3) . .
C22 C20 C21 111.0(3) . .
N3 C20 C17 99.5(2) . .
C22 C20 C17 114.2(3) . .
C21 C20 C17 115.1(3) . .
C20 C21 H21A 109.5 . .
C20 C21 H21B 109.5 . .
H21A C21 H21B 109.5 . .
C20 C21 H21C 109.5 . .
H21A C21 H21C 109.5 . .
H21B C21 H21C 109.5 . .
C20 C22 H22A 109.5 . .
C20 C22 H22B 109.5 . .
H22A C22 H22B 109.5 . .
C20 C22 H22C 109.5 . .
H22A C22 H22C 109.5 . .
H22B C22 H22C 109.5 . .
C28 C23 C24 117.5(3) . .
C28 C23 C16 122.4(3) . .
C24 C23 C16 120.0(3) . .
C25 C24 C23 121.5(3) . .
C25 C24 H24 119.3 . .
C23 C24 H24 119.3 . .
C24 C25 C26 120.1(4) . .
C24 C25 H25 120.0 . .
C26 C25 H25 120.0 . .
O6 C26 C27 125.6(4) . .
O6 C26 C25 114.8(4) . .
C27 C26 C25 119.5(3) . .
C26 C27 C28 120.1(4) . .
C26 C27 H27 119.9 . .
C28 C27 H27 119.9 . .
C23 C28 C27 121.2(3) . .
C23 C28 H28 119.4 . .
C27 C28 H28 119.4 . .
O6 C29 C30 108.3(5) . .
O6 C29 H29A 110.0 . .
C30 C29 H29A 110.0 . .
O6 C29 H29B 110.0 . .
C30 C29 H29B 110.0 . .
H29A C29 H29B 108.4 . .
C29 C30 H30A 109.5 . .
C29 C30 H30B 109.5 . .
H30A C30 H30B 109.5 . .
C29 C30 H30C 109.5 . .
H30A C30 H30C 109.5 . .
H30B C30 H30C 109.5 . .
F3' C31 F3 74.2(4) . .
F3' C31 F1' 105.4(5) . .
F3 C31 F1' 130.4(5) . .
F3' C31 F2' 113.0(5) . .
F3 C31 F2' 43.0(4) . .
F1' C31 F2' 101.0(5) . .
F3' C31 F2 129.0(5) . .
F3 C31 F2 112.3(4) . .
F1' C31 F2 30.6(3) . .
F2' C31 F2 73.7(4) . .
F3' C31 F1 35.5(3) . .
F3 C31 F1 105.5(4) . .
F1' C31 F1 72.5(4) . .
F2' C31 F1 132.5(5) . .
F2 C31 F1 101.1(4) . .
F3' C31 C32 110.7(5) . .
F3 C31 C32 113.9(3) . .
F1' C31 C32 112.2(4) . .
F2' C31 C32 113.8(3) . .
F2 C31 C32 111.4(4) . .
F1 C31 C32 111.9(3) . .
O7 C32 C33 129.0(3) . .
O7 C32 C31 113.5(2) . .
C33 C32 C31 117.5(3) . .
C34 C33 C32 121.8(3) . .
C34 C33 H33 119.1 . .
C32 C33 H33 119.1 . .
O8 C34 C33 127.8(2) . .
O8 C34 C35 114.1(3) . .
C33 C34 C35 118.0(3) . .
F5 C35 F4 106.1(3) . .
F5 C35 F6 107.2(3) . .
F4 C35 F6 107.4(3) . .
F5 C35 C34 111.6(3) . .
F4 C35 C34 110.5(3) . .
F6 C35 C34 113.8(3) . .
F7 C36 F9 107.0(3) . .
F7 C36 F8 106.8(3) . .
F9 C36 F8 105.9(3) . .
F7 C36 C37 112.6(3) . .
F9 C36 C37 111.1(3) . .
F8 C36 C37 113.1(3) . .
O9 C37 C38 129.2(3) . .
O9 C37 C36 112.3(3) . .
C38 C37 C36 118.5(3) . .
C37 C38 C39 122.0(3) . .
C37 C38 H38 119.0 . .
C39 C38 H38 119.0 . .
O10 C39 C38 128.0(3) . .
O10 C39 C40 113.7(3) . .
C38 C39 C40 118.3(3) . .
F11 C40 F12 107.8(4) . .
F11 C40 F11' 44.4(5) . .
F12 C40 F11' 129.9(5) . .
F11 C40 F10' 127.9(5) . .
F12 C40 F10' 34.2(5) . .
F11' C40 F10' 120.8(7) . .
F11 C40 F10 105.2(4) . .
F12 C40 F10 106.0(5) . .
F11' C40 F10 62.6(5) . .
F10' C40 F10 73.7(5) . .
F11 C40 F12' 52.3(5) . .
F12 C40 F12' 64.8(6) . .
F11' C40 F12' 95.6(7) . .
F10' C40 F12' 97.7(7) . .
F10 C40 F12' 144.0(5) . .
F11 C40 C39 112.6(4) . .
F12 C40 C39 113.6(3) . .
F11' C40 C39 115.8(5) . .
F10' C40 C39 116.1(4) . .
F10 C40 C39 111.0(3) . .
F12' C40 C39 104.2(5) . .
F15 C41 F13' 60.3(5) . .
F15 C41 F14' 132.1(5) . .
F13' C41 F14' 106.9(6) . .
F15 C41 F14 111.1(5) . .
F13' C41 F14 128.2(4) . .
F14' C41 F14 37.0(4) . .
F15 C41 F13 106.8(4) . .
F13' C41 F13 47.5(5) . .
F14' C41 F13 68.6(5) . .
F14 C41 F13 103.8(4) . .
F15 C41 F15' 49.9(5) . .
F13' C41 F15' 105.7(6) . .
F14' C41 F15' 101.7(6) . .
F14 C41 F15' 67.2(5) . .
F13 C41 F15' 140.0(4) . .
F15 C41 C42 112.3(3) . .
F13' C41 C42 117.2(4) . .
F14' C41 C42 113.9(4) . .
F14 C41 C42 112.9(3) . .
F13 C41 C42 109.3(4) . .
F15' C41 C42 110.0(4) . .
O11 C42 C43 127.5(3) . .
O11 C42 C41 113.8(3) . .
C43 C42 C41 118.7(3) . .
C42 C43 C44 122.8(3) . .
C42 C43 H43 118.6 . .
C44 C43 H43 118.6 . .
O12 C44 C43 128.1(3) . .
O12 C44 C45 113.3(3) . .
C43 C44 C45 118.6(3) . .
F16 C45 F18 109.0(4) . .
F16 C45 F17' 124.1(5) . .
F18 C45 F17' 74.2(5) . .
F16 C45 F18' 77.2(5) . .
F18 C45 F18' 35.7(4) . .
F17' C45 F18' 105.4(6) . .
F16 C45 F16' 27.1(3) . .
F18 C45 F16' 131.7(4) . .
F17' C45 F16' 110.7(6) . .
F18' C45 F16' 103.7(5) . .
F16 C45 F17 106.0(4) . .
F18 C45 F17 107.0(4) . .
F17' C45 F17 33.5(5) . .
F18' C45 F17 133.0(5) . .
F16' C45 F17 83.7(4) . .
F16 C45 C44 114.8(4) . .
F18 C45 C44 110.0(3) . .
F17' C45 C44 115.6(4) . .
F18' C45 C44 110.9(4) . .
F16' C45 C44 109.9(4) . .
F17 C45 C44 109.7(3) . .
O1 N1 C1 125.2(2) . .
O1 N1 C5 121.4(2) . .
C1 N1 C5 112.8(2) . .
O2 N2 C1 125.8(3) . .
O2 N2 C2 121.5(2) . .
C1 N2 C2 112.2(3) . .
O4 N3 C16 126.1(2) . .
O4 N3 C20 119.0(2) . .
C16 N3 C20 113.6(2) . .
O5 N4 C16 125.5(2) . .
O5 N4 C17 121.4(3) . .
C16 N4 C17 112.7(3) . .
N1 O1 Gd1 135.77(17) . .
C11 O3 C14 118.2(3) . .
N3 O4 Gd1 138.63(18) . .
C26 O6 C29 119.4(4) . .
C32 O7 Gd1 132.31(18) . .
C34 O8 Gd1 134.95(19) . .
C37 O9 Gd1 132.69(17) . .
C39 O10 Gd1 132.99(19) . .
C42 O11 Gd1 134.70(17) . .
C44 O12 Gd1 132.28(18) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Gd1 O4 2.316(2) .
Gd1 O11 2.333(2) .
Gd1 O8 2.340(2) .
Gd1 O9 2.350(2) .
Gd1 O10 2.361(2) .
Gd1 O1 2.363(2) .
Gd1 O12 2.388(2) .
Gd1 O7 2.391(2) .
F1 C31 1.322(5) .
F2 C31 1.321(5) .
F3 C31 1.303(5) .
F1' C31 1.319(6) .
F2' C31 1.320(5) .
F3' C31 1.266(8) .
F4 C35 1.296(4) .
F5 C35 1.295(5) .
F6 C35 1.300(4) .
F7 C36 1.295(4) .
F8 C36 1.304(4) .
F9 C36 1.295(5) .
F10 C40 1.354(6) .
F11 C40 1.287(5) .
F12 C40 1.288(5) .
F10' C40 1.295(7) .
F11' C40 1.294(7) .
F12' C40 1.388(8) .
F13 C41 1.328(5) .
F14 C41 1.310(5) .
F15 C41 1.282(5) .
F13' C41 1.296(6) .
F14' C41 1.303(6) .
F15' C41 1.345(7) .
F16 C45 1.272(5) .
F17 C45 1.349(5) .
F18 C45 1.298(5) .
F16' C45 1.333(6) .
F17' C45 1.304(7) .
F18' C45 1.311(8) .
C1 N1 1.325(4) .
C1 N2 1.366(4) .
C1 C8 1.432(4) .
C2 N2 1.494(4) .
C2 C4 1.509(5) .
C2 C3 1.514(6) .
C2 C5 1.514(5) .
C3 H3A 0.9600 .
C3 H3B 0.9600 .
C3 H3C 0.9600 .
C4 H4A 0.9600 .
C4 H4B 0.9600 .
C4 H4C 0.9600 .
C5 N1 1.486(3) .
C5 C6 1.505(5) .
C5 C7 1.516(5) .
C6 H6A 0.9600 .
C6 H6B 0.9600 .
C6 H6C 0.9600 .
C7 H7A 0.9600 .
C7 H7B 0.9600 .
C7 H7C 0.9600 .
C8 C9 1.370(5) .
C8 C13 1.385(4) .
C9 C10 1.374(4) .
C9 H9 0.9300 .
C10 C11 1.368(5) .
C10 H10 0.9300 .
C11 O3 1.359(4) .
C11 C12 1.363(5) .
C12 C13 1.347(4) .
C12 H12 0.9300 .
C13 H13 0.9300 .
C14 O3 1.392(5) .
C14 C15 1.480(6) .
C14 H14A 0.9700 .
C14 H14B 0.9700 .
C15 H15A 0.9600 .
C15 H15B 0.9600 .
C15 H15C 0.9600 .
C16 N3 1.310(4) .
C16 N4 1.359(4) .
C16 C23 1.438(4) .
C17 N4 1.483(4) .
C17 C18 1.492(6) .
C17 C19 1.511(5) .
C17 C20 1.548(5) .
C18 H18A 0.9600 .
C18 H18B 0.9600 .
C18 H18C 0.9600 .
C19 H19A 0.9600 .
C19 H19B 0.9600 .
C19 H19C 0.9600 .
C20 N3 1.494(3) .
C20 C22 1.498(5) .
C20 C21 1.499(5) .
C21 H21A 0.9600 .
C21 H21B 0.9600 .
C21 H21C 0.9600 .
C22 H22A 0.9600 .
C22 H22B 0.9600 .
C22 H22C 0.9600 .
C23 C28 1.371(5) .
C23 C24 1.388(5) .
C24 C25 1.360(4) .
C24 H24 0.9300 .
C25 C26 1.371(5) .
C25 H25 0.9300 .
C26 O6 1.362(4) .
C26 C27 1.366(6) .
C27 C28 1.376(4) .
C27 H27 0.9300 .
C28 H28 0.9300 .
C29 O6 1.381(6) .
C29 C30 1.455(6) .
C29 H29A 0.9700 .
C29 H29B 0.9700 .
C30 H30A 0.9600 .
C30 H30B 0.9600 .
C30 H30C 0.9600 .
C31 C32 1.514(5) .
C32 O7 1.225(3) .
C32 C33 1.376(4) .
C33 C34 1.369(5) .
C33 H33 0.9300 .
C34 O8 1.230(4) .
C34 C35 1.533(4) .
C36 C37 1.513(5) .
C37 O9 1.222(4) .
C37 C38 1.366(4) .
C38 C39 1.369(5) .
C38 H38 0.9300 .
C39 O10 1.224(4) .
C39 C40 1.521(5) .
C41 C42 1.510(4) .
C42 O11 1.241(4) .
C42 C43 1.357(4) .
C43 C44 1.370(4) .
C43 H43 0.9300 .
C44 O12 1.228(4) .
C44 C45 1.520(5) .
N1 O1 1.291(3) .
N2 O2 1.246(4) .
N3 O4 1.299(3) .
N4 O5 1.258(4) .
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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
N2 C2 C5 N1 -25.6(3) . . . .
C4 C2 C5 N1 -143.2(3) . . . .
C3 C2 C5 N1 87.6(3) . . . .
N2 C2 C5 C6 -145.2(3) . . . .
C4 C2 C5 C6 97.2(4) . . . .
C3 C2 C5 C6 -32.0(4) . . . .
N2 C2 C5 C7 85.5(3) . . . .
C4 C2 C5 C7 -32.0(4) . . . .
C3 C2 C5 C7 -161.3(3) . . . .
N1 C1 C8 C9 155.5(3) . . . .
N2 C1 C8 C9 -29.5(5) . . . .
N1 C1 C8 C13 -25.0(5) . . . .
N2 C1 C8 C13 150.1(3) . . . .
C13 C8 C9 C10 -0.3(5) . . . .
C1 C8 C9 C10 179.3(3) . . . .
C8 C9 C10 C11 -1.2(6) . . . .
C9 C10 C11 O3 -178.8(4) . . . .
C9 C10 C11 C12 1.7(6) . . . .
O3 C11 C12 C13 179.8(4) . . . .
C10 C11 C12 C13 -0.6(6) . . . .
C11 C12 C13 C8 -1.0(6) . . . .
C9 C8 C13 C12 1.4(5) . . . .
C1 C8 C13 C12 -178.2(3) . . . .
N4 C17 C20 N3 -23.1(3) . . . .
C18 C17 C20 N3 89.8(3) . . . .
C19 C17 C20 N3 -140.9(3) . . . .
N4 C17 C20 C22 89.2(3) . . . .
C18 C17 C20 C22 -157.9(3) . . . .
C19 C17 C20 C22 -28.6(4) . . . .
N4 C17 C20 C21 -140.7(3) . . . .
C18 C17 C20 C21 -27.8(4) . . . .
C19 C17 C20 C21 101.5(4) . . . .
N3 C16 C23 C28 154.7(3) . . . .
N4 C16 C23 C28 -27.7(5) . . . .
N3 C16 C23 C24 -28.2(5) . . . .
N4 C16 C23 C24 149.4(3) . . . .
C28 C23 C24 C25 -1.3(5) . . . .
C16 C23 C24 C25 -178.6(3) . . . .
C23 C24 C25 C26 -0.4(6) . . . .
C24 C25 C26 O6 -177.1(4) . . . .
C24 C25 C26 C27 1.2(6) . . . .
O6 C26 C27 C28 177.8(4) . . . .
C25 C26 C27 C28 -0.3(6) . . . .
C24 C23 C28 C27 2.3(6) . . . .
C16 C23 C28 C27 179.5(3) . . . .
C26 C27 C28 C23 -1.5(6) . . . .
F3' C31 C32 O7 -76.2(4) . . . .
F3 C31 C32 O7 -157.5(4) . . . .
F1' C31 C32 O7 41.3(5) . . . .
F2' C31 C32 O7 155.3(4) . . . .
F2 C31 C32 O7 74.3(4) . . . .
F1 C31 C32 O7 -38.0(5) . . . .
F3' C31 C32 C33 103.7(4) . . . .
F3 C31 C32 C33 22.4(5) . . . .
F1' C31 C32 C33 -138.8(4) . . . .
F2' C31 C32 C33 -24.8(6) . . . .
F2 C31 C32 C33 -105.8(4) . . . .
F1 C31 C32 C33 141.9(4) . . . .
O7 C32 C33 C34 -0.3(6) . . . .
C31 C32 C33 C34 179.8(3) . . . .
C32 C33 C34 O8 1.2(6) . . . .
C32 C33 C34 C35 179.4(3) . . . .
O8 C34 C35 F5 -40.9(4) . . . .
C33 C34 C35 F5 140.6(3) . . . .
O8 C34 C35 F4 76.8(4) . . . .
C33 C34 C35 F4 -101.7(4) . . . .
O8 C34 C35 F6 -162.4(3) . . . .
C33 C34 C35 F6 19.2(5) . . . .
F7 C36 C37 O9 -47.5(5) . . . .
F9 C36 C37 O9 72.5(4) . . . .
F8 C36 C37 O9 -168.7(3) . . . .
F7 C36 C37 C38 133.0(4) . . . .
F9 C36 C37 C38 -107.0(4) . . . .
F8 C36 C37 C38 11.9(5) . . . .
O9 C37 C38 C39 2.2(6) . . . .
C36 C37 C38 C39 -178.5(3) . . . .
C37 C38 C39 O10 -0.3(6) . . . .
C37 C38 C39 C40 178.3(3) . . . .
O10 C39 C40 F11 -77.6(5) . . . .
C38 C39 C40 F11 103.6(5) . . . .
O10 C39 C40 F12 159.5(4) . . . .
C38 C39 C40 F12 -19.4(6) . . . .
O10 C39 C40 F11' -28.7(8) . . . .
C38 C39 C40 F11' 152.4(7) . . . .
O10 C39 C40 F10' 121.7(6) . . . .
C38 C39 C40 F10' -57.2(7) . . . .
O10 C39 C40 F10 40.1(5) . . . .
C38 C39 C40 F10 -138.8(4) . . . .
O10 C39 C40 F12' -132.2(6) . . . .
C38 C39 C40 F12' 48.9(7) . . . .
F15 C41 C42 O11 71.4(5) . . . .
F13' C41 C42 O11 4.4(7) . . . .
F14' C41 C42 O11 -121.5(5) . . . .
F14 C41 C42 O11 -162.0(4) . . . .
F13 C41 C42 O11 -47.0(5) . . . .
F15' C41 C42 O11 125.1(5) . . . .
F15 C41 C42 C43 -107.0(5) . . . .
F13' C41 C42 C43 -174.0(6) . . . .
F14' C41 C42 C43 60.2(6) . . . .
F14 C41 C42 C43 19.7(6) . . . .
F13 C41 C42 C43 134.7(4) . . . .
F15' C41 C42 C43 -53.3(6) . . . .
O11 C42 C43 C44 2.8(6) . . . .
C41 C42 C43 C44 -179.1(3) . . . .
C42 C43 C44 O12 0.0(6) . . . .
C42 C43 C44 C45 -178.6(3) . . . .
O12 C44 C45 F16 31.8(5) . . . .
C43 C44 C45 F16 -149.4(4) . . . .
O12 C44 C45 F18 -91.6(4) . . . .
C43 C44 C45 F18 87.2(4) . . . .
O12 C44 C45 F17' -173.1(6) . . . .
C43 C44 C45 F17' 5.7(7) . . . .
O12 C44 C45 F18' -53.4(6) . . . .
C43 C44 C45 F18' 125.4(5) . . . .
O12 C44 C45 F16' 60.7(5) . . . .
C43 C44 C45 F16' -120.5(4) . . . .
O12 C44 C45 F17 151.0(4) . . . .
C43 C44 C45 F17 -30.2(5) . . . .
N2 C1 N1 O1 176.4(3) . . . .
C8 C1 N1 O1 -7.8(5) . . . .
N2 C1 N1 C5 -12.7(4) . . . .
C8 C1 N1 C5 163.2(3) . . . .
C6 C5 N1 O1 -40.3(4) . . . .
C2 C5 N1 O1 -163.1(3) . . . .
C7 C5 N1 O1 78.6(3) . . . .
C6 C5 N1 C1 148.4(3) . . . .
C2 C5 N1 C1 25.6(3) . . . .
C7 C5 N1 C1 -92.8(3) . . . .
N1 C1 N2 O2 -178.3(3) . . . .
C8 C1 N2 O2 5.8(6) . . . .
N1 C1 N2 C2 -6.4(4) . . . .
C8 C1 N2 C2 177.7(3) . . . .
C4 C2 N2 O2 -43.8(5) . . . .
C3 C2 N2 O2 75.2(4) . . . .
C5 C2 N2 O2 -166.3(3) . . . .
C4 C2 N2 C1 143.9(3) . . . .
C3 C2 N2 C1 -97.1(3) . . . .
C5 C2 N2 C1 21.4(4) . . . .
N4 C16 N3 O4 179.7(3) . . . .
C23 C16 N3 O4 -2.3(5) . . . .
N4 C16 N3 C20 -13.6(4) . . . .
C23 C16 N3 C20 164.4(3) . . . .
C22 C20 N3 O4 73.3(3) . . . .
C21 C20 N3 O4 -46.7(4) . . . .
C17 C20 N3 O4 -168.0(3) . . . .
C22 C20 N3 C16 -94.4(3) . . . .
C21 C20 N3 C16 145.5(3) . . . .
C17 C20 N3 C16 24.2(3) . . . .
N3 C16 N4 O5 -177.7(3) . . . .
C23 C16 N4 O5 4.3(5) . . . .
N3 C16 N4 C17 -4.3(4) . . . .
C23 C16 N4 C17 177.7(3) . . . .
C18 C17 N4 O5 74.0(4) . . . .
C19 C17 N4 O5 -46.4(5) . . . .
C20 C17 N4 O5 -167.6(3) . . . .
C18 C17 N4 C16 -99.8(4) . . . .
C19 C17 N4 C16 139.9(3) . . . .
C20 C17 N4 C16 18.6(4) . . . .
C1 N1 O1 Gd1 -81.2(3) . . . .
C5 N1 O1 Gd1 108.6(3) . . . .
O4 Gd1 O1 N1 -159.63(19) . . . .
O11 Gd1 O1 N1 87.1(2) . . . .
O8 Gd1 O1 N1 -53.3(2) . . . .
O9 Gd1 O1 N1 -128.9(2) . . . .
O10 Gd1 O1 N1 154.8(2) . . . .
O12 Gd1 O1 N1 20.2(2) . . . .
O7 Gd1 O1 N1 4.2(3) . . . .
C12 C11 O3 C14 179.7(4) . . . .
C10 C11 O3 C14 0.1(6) . . . .
C15 C14 O3 C11 179.4(4) . . . .
C16 N3 O4 Gd1 -84.7(4) . . . .
C20 N3 O4 Gd1 109.3(3) . . . .
O11 Gd1 O4 N3 -56.5(2) . . . .
O8 Gd1 O4 N3 84.2(2) . . . .
O9 Gd1 O4 N3 155.8(2) . . . .
O10 Gd1 O4 N3 -127.8(2) . . . .
O1 Gd1 O4 N3 -173.03(19) . . . .
O12 Gd1 O4 N3 7.2(3) . . . .
O7 Gd1 O4 N3 16.3(2) . . . .
C27 C26 O6 C29 -9.0(7) . . . .
C25 C26 O6 C29 169.2(4) . . . .
C30 C29 O6 C26 -163.0(4) . . . .
C33 C32 O7 Gd1 -10.2(5) . . . .
C31 C32 O7 Gd1 169.6(2) . . . .
O4 Gd1 O7 C32 119.5(3) . . . .
O11 Gd1 O7 C32 -141.4(3) . . . .
O8 Gd1 O7 C32 12.5(3) . . . .
O9 Gd1 O7 C32 69.6(3) . . . .
O10 Gd1 O7 C32 170.7(3) . . . .
O1 Gd1 O7 C32 -49.6(3) . . . .
O12 Gd1 O7 C32 -65.7(3) . . . .
C33 C34 O8 Gd1 9.3(5) . . . .
C35 C34 O8 Gd1 -169.0(2) . . . .
O4 Gd1 O8 C34 -80.6(3) . . . .
O11 Gd1 O8 C34 27.4(3) . . . .
O9 Gd1 O8 C34 -148.3(3) . . . .
O10 Gd1 O8 C34 -161.0(3) . . . .
O1 Gd1 O8 C34 138.5(3) . . . .
O12 Gd1 O8 C34 65.2(3) . . . .
O7 Gd1 O8 C34 -12.3(3) . . . .
C38 C37 O9 Gd1 9.0(5) . . . .
C36 C37 O9 Gd1 -170.4(2) . . . .
O4 Gd1 O9 C37 67.7(3) . . . .
O11 Gd1 O9 C37 -1.2(3) . . . .
O8 Gd1 O9 C37 173.8(3) . . . .
O10 Gd1 O9 C37 -13.1(3) . . . .
O1 Gd1 O9 C37 -91.9(3) . . . .
O12 Gd1 O9 C37 -136.7(3) . . . .
O7 Gd1 O9 C37 118.3(3) . . . .
C38 C39 O10 Gd1 -12.6(6) . . . .
C40 C39 O10 Gd1 168.7(2) . . . .
O4 Gd1 O10 C39 -59.4(3) . . . .
O11 Gd1 O10 C39 -158.0(3) . . . .
O8 Gd1 O10 C39 27.8(4) . . . .
O9 Gd1 O10 C39 14.9(3) . . . .
O1 Gd1 O10 C39 92.2(3) . . . .
O12 Gd1 O10 C39 149.4(3) . . . .
O7 Gd1 O10 C39 -109.5(3) . . . .
C43 C42 O11 Gd1 9.0(6) . . . .
C41 C42 O11 Gd1 -169.1(2) . . . .
O4 Gd1 O11 C42 134.8(3) . . . .
O8 Gd1 O11 C42 24.5(4) . . . .
O9 Gd1 O11 C42 -162.9(3) . . . .
O10 Gd1 O11 C42 -151.0(3) . . . .
O1 Gd1 O11 C42 -81.8(3) . . . .
O12 Gd1 O11 C42 -13.8(3) . . . .
O7 Gd1 O11 C42 63.6(3) . . . .
C43 C44 O12 Gd1 -13.7(5) . . . .
C45 C44 O12 Gd1 165.0(2) . . . .
O4 Gd1 O12 C44 -54.0(3) . . . .
O11 Gd1 O12 C44 15.8(3) . . . .
O8 Gd1 O12 C44 -138.9(3) . . . .
O9 Gd1 O12 C44 171.0(3) . . . .
O10 Gd1 O12 C44 68.6(3) . . . .
O1 Gd1 O12 C44 126.2(3) . . . .
O7 Gd1 O12 C44 -63.0(3) . . . .
