#------------------------------------------------------------------------------
#$Date: 2016-03-24 02:55:48 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179604 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/68/4506833.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_4506833
loop_
_publ_author_name
'Ma, Xue'
'Li, Xia'
'Cha, Yu-E'
'Jin, Lin-Pei'
_publ_section_title
;
 Highly Thermostable One-Dimensional Lanthanide(III) Coordination Polymers
 Constructed from Benzimidazole-5,6-dicarboxylic Acid and
 1,10-Phenanthroline: Synthesis, Structure, and Tunable White-Light
 Emission
;
_journal_issue                   11
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              5227
_journal_paper_doi               10.1021/cg300932a
_journal_volume                  12
_journal_year                    2012
_chemical_formula_sum            'C60 H37 Gd3 N13 O21'
_chemical_formula_weight         1747.78
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.9574(11)
_cell_length_b                   21.610(2)
_cell_length_c                   24.121(3)
_cell_measurement_reflns_used    5741
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      26.102
_cell_measurement_theta_min      2.648
_cell_volume                     5711.6(11)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_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      298(2)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'CCD area detector'
_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  0.1030
_diffrn_reflns_av_sigmaI/netI    0.1064
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            29860
_diffrn_reflns_theta_full        25.02
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         2.25
_exptl_absorpt_coefficient_mu    3.540
_exptl_absorpt_correction_T_max  0.5683
_exptl_absorpt_correction_T_min  0.5235
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_density_diffrn    2.032
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3392
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.18
_refine_diff_density_max         11.489
_refine_diff_density_min         -1.449
_refine_diff_density_rms         0.358
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.02(3)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.009
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     885
_refine_ls_number_reflns         9976
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.009
_refine_ls_R_factor_all          0.1142
_refine_ls_R_factor_gt           0.0842
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1498P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2012
_refine_ls_wR_factor_ref         0.2265
_reflns_number_gt                7177
_reflns_number_total             9976
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg300932a_si_002.cif
_cod_data_source_block           111215a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Orthorhombic' changed to
'orthorhombic' 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 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_cell_volume        5711.8(10)
_cod_original_sg_symbol_H-M      P2(1)2(1)2(1)
_cod_database_code               4506833
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -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_group
Gd1 Gd 0.89898(12) 0.49920(6) 0.0866(3) 0.0233(8) Uani 0.90(2) 1 d P 1
Gd1' Gd 0.8966(12) 0.5016(6) 0.059(3) 0.023(7) Uani 0.10(2) 1 d P 2
Gd2 Gd 0.60758(9) 0.49278(4) 0.27548(3) 0.0273(3) Uani 1 1 d . .
Gd3 Gd 0.76279(8) 0.52533(4) 0.43201(4) 0.0277(3) Uani 1 1 d . .
N1 N 1.0624(18) 0.7559(8) 0.1812(7) 0.041(5) Uani 1 1 d . .
H1 H 1.0569 0.7676 0.1472 0.049 Uiso 1 1 calc R .
N2 N 1.1156(18) 0.7549(8) 0.2714(7) 0.042(4) Uani 1 1 d . .
N3 N 0.3762(17) 0.2487(7) 0.0806(7) 0.041(4) Uani 1 1 d . .
H3 H 0.3488 0.2388 0.0483 0.049 Uiso 1 1 calc R .
N4 N 0.4088(18) 0.2504(8) 0.1711(7) 0.043(4) Uani 1 1 d . .
N5 N 0.1967(16) 0.7455(7) 0.3797(6) 0.036(4) Uani 1 1 d . .
H5 H 0.1802 0.7543 0.3458 0.043 Uiso 1 1 calc R .
N6 N 0.1967(16) 0.7478(7) 0.4724(7) 0.036(4) Uani 1 1 d . .
N7 N 0.413(2) 0.2066(8) 0.3867(7) 0.048(5) Uani 1 1 d . .
H7 H 0.3912 0.1977 0.3533 0.057 Uiso 1 1 calc R .
N8 N 0.426(2) 0.2029(8) 0.4785(7) 0.050(5) Uani 1 1 d . .
N9 N 1.1042(16) 0.5534(7) 0.0724(7) 0.041(4) Uani 1 1 d . .
N10 N 1.0413(16) 0.5056(8) 0.1711(6) 0.038(4) Uani 1 1 d . .
N11 N 0.4633(17) 0.4852(9) 0.1911(7) 0.042(4) Uani 1 1 d . .
N12 N 0.4020(18) 0.4353(8) 0.2903(7) 0.042(4) Uani 1 1 d . .
N13 N 1.0205(18) 0.4860(9) 0.4287(9) 0.051(5) Uani 1 1 d . .
O1 O 0.7903(12) 0.5588(6) 0.1493(5) 0.029(3) Uani 1 1 d . .
O2 O 0.6692(14) 0.5759(6) 0.2195(5) 0.036(3) Uani 1 1 d . .
O3 O 0.7947(12) 0.5297(6) 0.3046(5) 0.036(3) Uani 1 1 d . .
O4 O 0.8702(15) 0.5897(7) 0.3693(6) 0.049(4) Uani 1 1 d . .
O5 O 0.8353(14) 0.4165(6) 0.1391(5) 0.036(3) Uani 1 1 d . .
O6 O 0.7320(11) 0.4679(6) 0.2112(5) 0.029(3) Uani 1 1 d . .
O7 O 0.8002(17) 0.6134(7) 0.4902(6) 0.052(4) Uani 1 1 d . .
O8 O 0.7842(13) 0.5358(6) 0.5488(5) 0.040(3) Uani 1 1 d . .
O9 O 0.4866(15) 0.5648(7) 0.3211(6) 0.047(4) Uani 1 1 d . .
O10 O 0.6237(16) 0.5887(7) 0.3864(6) 0.047(4) Uani 1 1 d . .
O11 O 0.9427(15) 0.4673(7) -0.0198(6) 0.052(4) Uani 1 1 d . .
O12 O 1.0134(16) 0.4151(7) 0.0475(6) 0.048(4) Uani 1 1 d . .
O13 O 0.6612(15) 0.3920(7) 0.3153(6) 0.046(4) Uani 1 1 d . .
O14 O 0.6322(15) 0.4606(7) 0.3787(6) 0.048(4) Uani 1 1 d . .
O15 O 0.7569(16) 0.4285(7) 0.4677(6) 0.051(4) Uani 1 1 d . .
O16 O 0.6383(15) 0.4076(7) 0.5395(6) 0.049(4) Uani 1 1 d . .
O17 O 0.9459(16) 0.4628(8) 0.3946(7) 0.054(4) Uani 1 1 d . .
O18 O 0.9783(16) 0.5203(8) 0.4637(7) 0.061(4) Uani 1 1 d . .
O19 O 1.1280(19) 0.4751(12) 0.4238(10) 0.097(7) Uani 1 1 d . .
O20 O 0.4625(18) 0.1715(8) 0.5862(7) 0.068(5) Uani 1 1 d . .
H20C H 0.4509 0.1804 0.5523 0.081 Uiso 1 1 d R .
H20D H 0.4563 0.1325 0.5901 0.081 Uiso 1 1 d R .
O21 O 0.4388(16) 0.1944(7) 0.2732(7) 0.056(4) Uani 1 1 d . .
H21C H 0.4285 0.2101 0.2412 0.068 Uiso 1 1 d R .
H21D H 0.4064 0.1587 0.2736 0.068 Uiso 1 1 d R .
C1 C 0.765(2) 0.5816(9) 0.1958(8) 0.034(5) Uani 1 1 d . .
C2 C 0.851(2) 0.5783(10) 0.3197(8) 0.038(5) Uani 1 1 d . .
C3 C 0.865(2) 0.6270(9) 0.2216(8) 0.036(5) Uani 1 1 d . .
C4 C 0.893(2) 0.6249(9) 0.2787(8) 0.037(5) Uani 1 1 d . .
C5 C 0.974(2) 0.6671(9) 0.2995(9) 0.039(5) Uani 1 1 d . .
H5A H 0.9913 0.6682 0.3372 0.046 Uiso 1 1 calc R .
C6 C 1.029(2) 0.7085(10) 0.2627(8) 0.037(5) Uani 1 1 d . .
C7 C 1.003(2) 0.7093(10) 0.2052(9) 0.040(5) Uani 1 1 d . .
C8 C 0.916(2) 0.6667(9) 0.1860(8) 0.037(5) Uani 1 1 d . .
H8A H 0.8932 0.6663 0.1489 0.044 Uiso 1 1 calc R .
C9 C 1.131(2) 0.7805(10) 0.2199(8) 0.042(5) Uani 1 1 d . .
H9 H 1.1847 0.8127 0.2130 0.050 Uiso 1 1 calc R .
C10 C 0.731(2) 0.4111(10) 0.1650(8) 0.033(5) Uani 1 1 d . .
C11 C 0.817(2) 0.5925(11) 0.5365(8) 0.046(6) Uani 1 1 d . .
C12 C 0.636(2) 0.3717(9) 0.1372(8) 0.036(5) Uani 1 1 d . .
C13 C 0.617(2) 0.3693(9) 0.0778(8) 0.038(5) Uani 1 1 d . .
C14 C 0.526(2) 0.3287(10) 0.0570(9) 0.041(5) Uani 1 1 d . .
H14 H 0.5096 0.3270 0.0192 0.049 Uiso 1 1 calc R .
C15 C 0.464(2) 0.2924(10) 0.0928(9) 0.040(5) Uani 1 1 d . .
C16 C 0.488(2) 0.2934(10) 0.1499(8) 0.039(5) Uani 1 1 d . .
C17 C 0.572(2) 0.3335(9) 0.1714(9) 0.038(5) Uani 1 1 d . .
H17 H 0.5848 0.3348 0.2094 0.045 Uiso 1 1 calc R .
C18 C 0.343(2) 0.2254(10) 0.1290(9) 0.045(5) Uani 1 1 d . .
H18 H 0.2818 0.1958 0.1336 0.054 Uiso 1 1 calc R .
C19 C 0.516(2) 0.5874(9) 0.3687(8) 0.035(5) Uani 1 1 d . .
C20 C 1.002(2) 0.4176(10) -0.0018(10) 0.045(6) Uani 1 1 d . .
C21 C 0.429(2) 0.6221(9) 0.4008(8) 0.036(5) Uani 1 1 d . .
C22 C 0.423(2) 0.6231(9) 0.4602(8) 0.034(5) Uani 1 1 d . .
C23 C 0.3491(19) 0.6603(9) 0.4863(8) 0.034(5) Uani 1 1 d . .
H23 H 0.3456 0.6599 0.5249 0.041 Uiso 1 1 calc R .
C24 C 0.2750(19) 0.7009(9) 0.4560(8) 0.033(5) Uani 1 1 d . .
C25 C 0.274(2) 0.7002(9) 0.3979(8) 0.034(5) Uani 1 1 d . .
C26 C 0.3528(19) 0.6599(8) 0.3716(8) 0.034(5) Uani 1 1 d . .
H26 H 0.3540 0.6585 0.3331 0.040 Uiso 1 1 calc R .
C27 C 0.1520(18) 0.7733(8) 0.4246(8) 0.034(4) Uani 1 1 d . .
H27 H 0.0971 0.8061 0.4235 0.041 Uiso 1 1 calc R .
C28 C 0.644(2) 0.3989(11) 0.3663(9) 0.045(6) Uani 1 1 d . .
C29 C 0.666(2) 0.3994(10) 0.4926(9) 0.044(6) Uani 1 1 d . .
C30 C 0.599(2) 0.3487(10) 0.4027(8) 0.042(5) Uani 1 1 d . .
C31 C 0.604(2) 0.3496(9) 0.4607(8) 0.042(5) Uani 1 1 d . .
C32 C 0.544(2) 0.3027(10) 0.4908(9) 0.047(6) Uani 1 1 d . .
H32 H 0.5464 0.3022 0.5293 0.056 Uiso 1 1 calc R .
C33 C 0.483(2) 0.2580(10) 0.4621(9) 0.047(6) Uani 1 1 d . .
C34 C 0.485(2) 0.2567(11) 0.4038(10) 0.047(6) Uani 1 1 d . .
C35 C 0.539(2) 0.3002(10) 0.3734(9) 0.048(6) Uani 1 1 d . .
H35 H 0.5377 0.2990 0.3348 0.057 Uiso 1 1 calc R .
C36 C 0.383(2) 0.1751(10) 0.4339(10) 0.053(6) Uani 1 1 d . .
H36 H 0.3386 0.1386 0.4346 0.064 Uiso 1 1 calc R .
C37 C 1.145(2) 0.5763(10) 0.0217(9) 0.046(6) Uani 1 1 d . .
H37 H 1.1066 0.5623 -0.0103 0.056 Uiso 1 1 calc R .
C38 C 1.238(3) 0.6177(11) 0.0156(10) 0.051(6) Uani 1 1 d . .
H38 H 1.2727 0.6260 -0.0188 0.062 Uiso 1 1 calc R .
C39 C 1.277(2) 0.6456(11) 0.0616(10) 0.051(6) Uani 1 1 d . .
H39 H 1.3308 0.6787 0.0583 0.061 Uiso 1 1 calc R .
C40 C 1.240(2) 0.6270(10) 0.1149(9) 0.045(6) Uani 1 1 d . .
C41 C 1.156(2) 0.5745(10) 0.1175(9) 0.041(5) Uani 1 1 d . .
C42 C 1.128(2) 0.5511(10) 0.1688(9) 0.042(5) Uani 1 1 d . .
C43 C 1.190(2) 0.5720(10) 0.2184(8) 0.042(5) Uani 1 1 d . .
C44 C 1.158(2) 0.5388(10) 0.2706(9) 0.043(5) Uani 1 1 d . .
H44 H 1.1975 0.5490 0.3034 0.051 Uiso 1 1 calc R .
C45 C 1.075(2) 0.4959(10) 0.2711(9) 0.046(5) Uani 1 1 d . .
H45 H 1.0557 0.4752 0.3037 0.055 Uiso 1 1 calc R .
C46 C 1.0141(19) 0.4810(10) 0.2197(8) 0.038(5) Uani 1 1 d . .
H46 H 0.9512 0.4522 0.2210 0.046 Uiso 1 1 calc R .
C47 C 1.298(2) 0.6464(11) 0.1681(9) 0.046(6) Uani 1 1 d . .
H47 H 1.3503 0.6803 0.1685 0.055 Uiso 1 1 calc R .
C48 C 1.279(2) 0.6193(10) 0.2098(9) 0.045(6) Uani 1 1 d . .
H48 H 1.3265 0.6300 0.2402 0.054 Uiso 1 1 calc R .
C49 C 0.491(2) 0.5133(11) 0.1431(8) 0.043(5) Uani 1 1 d . .
H49 H 0.5526 0.5431 0.1428 0.051 Uiso 1 1 calc R .
C50 C 0.430(2) 0.4985(10) 0.0926(9) 0.047(6) Uani 1 1 d . .
H50 H 0.4457 0.5198 0.0599 0.056 Uiso 1 1 calc R .
C51 C 0.340(2) 0.4485(10) 0.0948(9) 0.045(5) Uani 1 1 d . .
H51 H 0.3059 0.4331 0.0623 0.054 Uiso 1 1 calc R .
C52 C 0.308(2) 0.4251(10) 0.1441(9) 0.044(6) Uani 1 1 d . .
C53 C 0.373(2) 0.4439(10) 0.1932(9) 0.042(5) Uani 1 1 d . .
C54 C 0.343(2) 0.4151(10) 0.2458(9) 0.042(5) Uani 1 1 d . .
C55 C 0.241(3) 0.3705(10) 0.2484(9) 0.047(6) Uani 1 1 d . .
C56 C 0.214(2) 0.3516(11) 0.2996(11) 0.054(6) Uani 1 1 d . .
H56 H 0.1548 0.3215 0.3046 0.065 Uiso 1 1 calc R .
C57 C 0.270(2) 0.3747(11) 0.3430(10) 0.051(6) Uani 1 1 d . .
H57 H 0.2468 0.3612 0.3780 0.061 Uiso 1 1 calc R .
C58 C 0.362(2) 0.4183(11) 0.3390(10) 0.048(6) Uani 1 1 d . .
H58 H 0.3956 0.4355 0.3709 0.058 Uiso 1 1 calc R .
C59 C 0.214(2) 0.3776(11) 0.1503(10) 0.047(6) Uani 1 1 d . .
H59 H 0.1708 0.3651 0.1191 0.057 Uiso 1 1 calc R .
C60 C 0.188(2) 0.3509(11) 0.1998(10) 0.048(6) Uani 1 1 d . .
H60 H 0.1316 0.3185 0.2009 0.058 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'
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'
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
O5 Gd1 O1 85.2(5) . .
O5 Gd1 O8 72.7(5) . 2_664
O1 Gd1 O8 89.6(5) . 2_664
O5 Gd1 O16 151.7(6) . 2_664
O1 Gd1 O16 75.5(5) . 2_664
O8 Gd1 O16 86.5(5) 2_664 2_664
O5 Gd1 O12 77.7(5) . .
O1 Gd1 O12 161.0(6) . .
O8 Gd1 O12 92.9(6) 2_664 .
O16 Gd1 O12 123.4(6) 2_664 .
O5 Gd1 N9 134.1(6) . .
O1 Gd1 N9 106.5(5) . .
O8 Gd1 N9 148.5(6) 2_664 .
O16 Gd1 N9 72.3(6) 2_664 .
O12 Gd1 N9 80.5(6) . .
O5 Gd1 N10 77.8(6) . .
O1 Gd1 N10 76.3(5) . .
O8 Gd1 N10 148.3(6) 2_664 .
O16 Gd1 N10 116.3(6) 2_664 .
O12 Gd1 N10 92.0(5) . .
N9 Gd1 N10 63.1(6) . .
O5 Gd1 O11 112.3(5) . .
O1 Gd1 O11 148.6(5) . .
O8 Gd1 O11 72.4(5) 2_664 .
O16 Gd1 O11 77.9(5) 2_664 .
O12 Gd1 O11 48.8(5) . .
N9 Gd1 O11 80.4(5) . .
N10 Gd1 O11 131.3(5) . .
O16 Gd1' O11 100(3) 2_664 .
O16 Gd1' O8 99.3(12) 2_664 2_664
O11 Gd1' O8 89.3(18) . 2_664
O16 Gd1' O12 149(2) 2_664 .
O11 Gd1' O12 57.9(10) . .
O8 Gd1' O12 101.3(8) 2_664 .
O16 Gd1' N9 77.0(7) 2_664 .
O11 Gd1' N9 93.3(13) . .
O8 Gd1' N9 175.9(9) 2_664 .
O12 Gd1' N9 82.8(7) . .
O16 Gd1' O5 139(2) 2_664 .
O11 Gd1' O5 117.4(7) . .
O8 Gd1' O5 66.7(10) 2_664 .
O12 Gd1' O5 71.0(11) . .
N9 Gd1' O5 115(2) . .
O16 Gd1' C29 23.1(9) 2_664 2_664
O11 Gd1' C29 79(2) . 2_664
O8 Gd1' C29 89.8(14) 2_664 2_664
O12 Gd1' C29 135(3) . 2_664
N9 Gd1' C29 87.5(10) . 2_664
O5 Gd1' C29 149.8(9) . 2_664
O16 Gd1' O1 70.9(10) 2_664 .
O11 Gd1' O1 166.6(18) . .
O8 Gd1' O1 82.5(11) 2_664 .
O12 Gd1' O1 134(3) . .
N9 Gd1' O1 94.4(14) . .
O5 Gd1' O1 68.9(14) . .
C29 Gd1' O1 90.3(6) 2_664 .
O16 Gd1' Gd3 82.6(17) 2_664 2_664
O11 Gd1' Gd3 44.4(11) . 2_664
O8 Gd1' Gd3 52.6(12) 2_664 2_664
O12 Gd1' Gd3 92.3(15) . 2_664
N9 Gd1' Gd3 128(2) . 2_664
O5 Gd1' Gd3 112.0(6) . 2_664
C29 Gd1' Gd3 60.6(12) 2_664 2_664
O1 Gd1' Gd3 122.9(6) . 2_664
O6 Gd2 O3 74.9(5) . .
O6 Gd2 O9 151.4(5) . .
O3 Gd2 O9 97.5(5) . .
O6 Gd2 O2 65.8(5) . .
O3 Gd2 O2 69.8(5) . .
O9 Gd2 O2 85.6(5) . .
O6 Gd2 O13 84.7(5) . .
O3 Gd2 O13 88.6(5) . .
O9 Gd2 O13 123.1(5) . .
O2 Gd2 O13 146.8(5) . .
O6 Gd2 N11 78.6(5) . .
O3 Gd2 N11 143.6(5) . .
O9 Gd2 N11 93.9(6) . .
O2 Gd2 N11 76.8(6) . .
O13 Gd2 N11 113.5(6) . .
O6 Gd2 N12 122.3(5) . .
O3 Gd2 N12 153.3(5) . .
O9 Gd2 N12 76.1(6) . .
O2 Gd2 N12 134.0(5) . .
O13 Gd2 N12 74.3(6) . .
N11 Gd2 N12 63.1(6) . .
O6 Gd2 O14 124.2(5) . .
O3 Gd2 O14 73.1(5) . .
O9 Gd2 O14 77.5(5) . .
O2 Gd2 O14 136.6(5) . .
O13 Gd2 O14 50.3(5) . .
N11 Gd2 O14 143.3(5) . .
N12 Gd2 O14 80.2(5) . .
O15 Gd3 O10 134.9(6) . .
O15 Gd3 O4 143.1(6) . .
O10 Gd3 O4 71.2(6) . .
O15 Gd3 O14 69.2(5) . .
O10 Gd3 O14 72.3(5) . .
O4 Gd3 O14 107.4(5) . .
O15 Gd3 O7 121.0(5) . .
O10 Gd3 O7 85.5(6) . .
O4 Gd3 O7 79.8(5) . .
O14 Gd3 O7 152.3(6) . .
O15 Gd3 O18 82.5(6) . .
O10 Gd3 O18 142.6(6) . .
O4 Gd3 O18 75.5(6) . .
O14 Gd3 O18 135.4(6) . .
O7 Gd3 O18 72.1(6) . .
O15 Gd3 O11 81.9(5) . 2_665
O10 Gd3 O11 66.3(5) . 2_665
O4 Gd3 O11 134.1(5) . 2_665
O14 Gd3 O11 75.5(5) . 2_665
O7 Gd3 O11 80.5(6) . 2_665
O18 Gd3 O11 134.8(5) . 2_665
O15 Gd3 O17 70.8(6) . .
O10 Gd3 O17 130.7(5) . .
O4 Gd3 O17 72.4(5) . .
O14 Gd3 O17 88.3(5) . .
O7 Gd3 O17 119.1(6) . .
O18 Gd3 O17 49.2(6) . .
O11 Gd3 O17 151.9(5) 2_665 .
O15 Gd3 O8 72.4(5) . .
O10 Gd3 O8 118.5(5) . .
O4 Gd3 O8 123.1(5) . .
O14 Gd3 O8 129.3(4) . .
O7 Gd3 O8 48.8(4) . .
O18 Gd3 O8 67.6(5) . .
O11 Gd3 O8 67.3(5) 2_665 .
O17 Gd3 O8 109.0(5) . .
O15 Gd3 Gd1' 60.6(5) . 2_665
O10 Gd3 Gd1' 100.4(5) . 2_665
O4 Gd3 Gd1' 152.4(5) . 2_665
O14 Gd3 Gd1' 94.2(6) . 2_665
O7 Gd3 Gd1' 73.2(6) . 2_665
O18 Gd3 Gd1' 101.2(6) . 2_665
O11 Gd3 Gd1' 35.3(5) 2_665 2_665
O17 Gd3 Gd1' 126.5(4) . 2_665
O8 Gd3 Gd1' 37.1(6) . 2_665
C9 N1 C7 105.9(18) . .
C9 N1 H1 127.0 . .
C7 N1 H1 127.0 . .
C9 N2 C6 103.5(17) . .
C18 N3 C15 105.4(17) . .
C18 N3 H3 127.3 . .
C15 N3 H3 127.3 . .
C18 N4 C16 109.3(17) . .
C27 N5 C25 106.8(16) . .
C27 N5 H5 126.6 . .
C25 N5 H5 126.6 . .
C27 N6 C24 105.9(15) . .
C36 N7 C34 105.7(18) . .
C36 N7 H7 127.1 . .
C34 N7 H7 127.1 . .
C36 N8 C33 108.4(18) . .
C41 N9 C37 117.8(18) . .
C41 N9 Gd1' 130(2) . .
C37 N9 Gd1' 109(2) . .
C41 N9 Gd1 115.4(14) . .
C37 N9 Gd1 124.3(14) . .
Gd1' N9 Gd1 15.1(13) . .
C46 N10 C42 118.9(18) . .
C46 N10 Gd1 123.0(14) . .
C42 N10 Gd1 115.2(13) . .
C53 N11 C49 120.5(18) . .
C53 N11 Gd2 117.8(13) . .
C49 N11 Gd2 120.6(15) . .
C58 N12 C54 118(2) . .
C58 N12 Gd2 123.3(16) . .
C54 N12 Gd2 117.9(15) . .
O19 N13 O18 124(2) . .
O19 N13 O17 119(2) . .
O18 N13 O17 117(2) . .
C1 O1 Gd1 156.1(13) . .
C1 O1 Gd1' 166.6(15) . .
Gd1 O1 Gd1' 11.4(8) . .
C1 O2 Gd2 127.2(13) . .
C2 O3 Gd2 143.6(14) . .
C2 O4 Gd3 114.7(14) . .
C10 O5 Gd1 126.7(12) . .
C10 O5 Gd1' 127.4(12) . .
Gd1 O5 Gd1' 11.3(8) . .
C10 O6 Gd2 132.0(11) . .
C11 O7 Gd3 105.6(14) . .
C11 O8 Gd1' 129.1(16) . 2_665
C11 O8 Gd1 129.1(15) . 2_665
Gd1' O8 Gd1 16.7(15) 2_665 2_665
C11 O8 Gd3 82.7(11) . .
Gd1' O8 Gd3 90.3(17) 2_665 .
Gd1 O8 Gd3 107.0(5) 2_665 .
C19 O9 Gd2 122.3(14) . .
C19 O10 Gd3 139.8(14) . .
C20 O11 Gd1' 96.2(16) . .
C20 O11 Gd3 129.5(14) . 2_664
Gd1' O11 Gd3 100.2(9) . 2_664
C20 O11 Gd1 89.0(12) . .
Gd1' O11 Gd1 7.2(9) . .
Gd3 O11 Gd1 105.2(6) 2_664 .
C20 O12 Gd1' 91(2) . .
C20 O12 Gd1 107.7(15) . .
Gd1' O12 Gd1 16.3(14) . .
C28 O13 Gd2 104.1(14) . .
C28 O14 Gd3 129.2(14) . .
C28 O14 Gd2 93.5(12) . .
Gd3 O14 Gd2 115.0(6) . .
C29 O15 Gd3 129.4(15) . .
C29 O16 Gd1' 114(2) . 2_665
C29 O16 Gd1 129.4(15) . 2_665
Gd1' O16 Gd1 15.9(16) 2_665 2_665
N13 O17 Gd3 93.8(12) . .
N13 O18 Gd3 100.0(14) . .
H20C O20 H20D 108.5 . .
H21C O21 H21D 108.5 . .
O2 C1 O1 125(2) . .
O2 C1 C3 118.6(18) . .
O1 C1 C3 116.0(18) . .
O4 C2 O3 121.5(19) . .
O4 C2 C4 117(2) . .
O3 C2 C4 121.1(18) . .
C8 C3 C4 124(2) . .
C8 C3 C1 115.3(18) . .
C4 C3 C1 120.4(18) . .
C5 C4 C3 118.3(19) . .
C5 C4 C2 113.9(18) . .
C3 C4 C2 128(2) . .
C4 C5 C6 118.4(19) . .
C4 C5 H5A 120.8 . .
C6 C5 H5A 120.8 . .
N2 C6 C5 131.1(19) . .
N2 C6 C7 105.9(18) . .
C5 C6 C7 123(2) . .
N1 C7 C8 133(2) . .
N1 C7 C6 110(2) . .
C8 C7 C6 116.7(19) . .
C3 C8 C7 119.4(19) . .
C3 C8 H8A 120.3 . .
C7 C8 H8A 120.3 . .
N1 C9 N2 114.5(19) . .
N1 C9 H9 122.7 . .
N2 C9 H9 122.7 . .
O5 C10 C12 116.3(17) . .
O5 C10 O6 104.3(16) . .
C12 C10 O6 136.5(17) . .
O7 C11 O8 121(2) . .
O7 C11 C13 119(2) . 2_665
O8 C11 C13 120.2(18) . 2_665
C17 C12 C13 120(2) . .
C17 C12 C10 115.5(18) . .
C13 C12 C10 124.2(18) . .
C14 C13 C12 118.3(18) . .
C14 C13 C11 116.6(18) . 2_664
C12 C13 C11 125.1(19) . 2_664
C15 C14 C13 119.0(19) . .
C15 C14 H14 120.5 . .
C13 C14 H14 120.5 . .
C14 C15 N3 127.7(19) . .
C14 C15 C16 122(2) . .
N3 C15 C16 110.6(18) . .
C17 C16 N4 135.7(19) . .
C17 C16 C15 121(2) . .
N4 C16 C15 103.6(19) . .
C16 C17 C12 120(2) . .
C16 C17 H17 119.9 . .
C12 C17 H17 119.9 . .
N3 C18 N4 111(2) . .
N3 C18 H18 124.5 . .
N4 C18 H18 124.5 . .
O10 C19 O9 123(2) . .
O10 C19 C21 115.2(19) . .
O9 C19 C21 121(2) . .
O12 C20 O11 114(2) . .
O12 C20 C22 122(2) . 2_664
O11 C20 C22 122.4(19) . 2_664
C26 C21 C22 119(2) . .
C26 C21 C19 116.1(18) . .
C22 C21 C19 125(2) . .
C23 C22 C21 121(2) . .
C23 C22 C20 113.6(18) . 2_665
C21 C22 C20 125.0(19) . 2_665
C22 C23 C24 119.5(19) . .
C22 C23 H23 120.2 . .
C24 C23 H23 120.2 . .
N6 C24 C25 106.7(17) . .
N6 C24 C23 131.9(17) . .
C25 C24 C23 121.4(18) . .
N5 C25 C26 133.7(18) . .
N5 C25 C24 108.7(17) . .
C26 C25 C24 117.3(19) . .
C21 C26 C25 121.6(18) . .
C21 C26 H26 119.2 . .
C25 C26 H26 119.2 . .
N5 C27 N6 111.9(16) . .
N5 C27 H27 124.1 . .
N6 C27 H27 124.1 . .
O13 C28 O14 110.1(19) . .
O13 C28 C30 123(2) . .
O14 C28 C30 123.6(19) . .
O16 C29 O15 124(2) . .
O16 C29 C31 119(2) . .
O15 C29 C31 116.9(19) . .
O16 C29 Gd1' 42.9(15) . 2_665
O15 C29 Gd1' 94.6(14) . 2_665
C31 C29 Gd1' 138.4(18) . 2_665
C31 C30 C35 122(2) . .
C31 C30 C28 125(2) . .
C35 C30 C28 113.5(19) . .
C30 C31 C32 119(2) . .
C30 C31 C29 123(2) . .
C32 C31 C29 117.8(19) . .
C33 C32 C31 119(2) . .
C33 C32 H32 120.7 . .
C31 C32 H32 120.7 . .
C32 C33 N8 133(2) . .
C32 C33 C34 121(2) . .
N8 C33 C34 106(2) . .
C35 C34 N7 129(2) . .
C35 C34 C33 123(2) . .
N7 C34 C33 107(2) . .
C34 C35 C30 117(2) . .
C34 C35 H35 121.6 . .
C30 C35 H35 121.6 . .
N8 C36 N7 111.6(19) . .
N8 C36 H36 124.2 . .
N7 C36 H36 124.2 . .
C38 C37 N9 125(2) . .
C38 C37 H37 117.7 . .
N9 C37 H37 117.7 . .
C39 C38 C37 117(2) . .
C39 C38 H38 121.7 . .
C37 C38 H38 121.7 . .
C38 C39 C40 123(2) . .
C38 C39 H39 118.7 . .
C40 C39 H39 118.7 . .
C39 C40 C41 116(2) . .
C39 C40 C47 126(2) . .
C41 C40 C47 116.6(19) . .
N9 C41 C42 121(2) . .
N9 C41 C40 120.5(19) . .
C42 C41 C40 118.0(19) . .
N10 C42 C41 117.5(19) . .
N10 C42 C43 121.1(19) . .
C41 C42 C43 121(2) . .
C48 C43 C42 115.1(19) . .
C48 C43 C44 129(2) . .
C42 C43 C44 116(2) . .
C45 C44 C43 121(2) . .
C45 C44 H44 119.5 . .
C43 C44 H44 119.5 . .
C44 C45 C46 118(2) . .
C44 C45 H45 120.8 . .
C46 C45 H45 120.8 . .
N10 C46 C45 125(2) . .
N10 C46 H46 117.7 . .
C45 C46 H46 117.7 . .
C48 C47 C40 121(2) . .
C48 C47 H47 119.4 . .
C40 C47 H47 119.4 . .
C47 C48 C43 127(2) . .
C47 C48 H48 116.5 . .
C43 C48 H48 116.5 . .
N11 C49 C50 122(2) . .
N11 C49 H49 119.2 . .
C50 C49 H49 119.2 . .
C49 C50 C51 117(2) . .
C49 C50 H50 121.6 . .
C51 C50 H50 121.6 . .
C52 C51 C50 119(2) . .
C52 C51 H51 120.4 . .
C50 C51 H51 120.4 . .
C51 C52 C53 119(2) . .
C51 C52 C59 123(2) . .
C53 C52 C59 117(2) . .
N11 C53 C52 122(2) . .
N11 C53 C54 119.3(19) . .
C52 C53 C54 119(2) . .
N12 C54 C53 117(2) . .
N12 C54 C55 123(2) . .
C53 C54 C55 119(2) . .
C56 C55 C60 127(3) . .
C56 C55 C54 114(2) . .
C60 C55 C54 119(2) . .
C57 C56 C55 121(3) . .
C57 C56 H56 119.4 . .
C55 C56 H56 119.4 . .
C56 C57 C58 123(2) . .
C56 C57 H57 118.6 . .
C58 C57 H57 118.6 . .
N12 C58 C57 120(2) . .
N12 C58 H58 120.1 . .
C57 C58 H58 120.1 . .
C60 C59 C52 123(2) . .
C60 C59 H59 118.6 . .
C52 C59 H59 118.6 . .
C59 C60 C55 122(2) . .
C59 C60 H60 119.2 . .
C55 C60 H60 119.2 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Gd1 O5 2.299(14) .
Gd1 O1 2.317(12) .
Gd1 O8 2.331(14) 2_664
Gd1 O16 2.349(15) 2_664
Gd1 O12 2.400(15) .
Gd1 N9 2.559(18) .
Gd1 N10 2.571(17) .
Gd1 O11 2.701(16) .
Gd1' O16 2.05(3) 2_664
Gd1' O11 2.10(6) .
Gd1' O8 2.15(2) 2_664
Gd1' O12 2.281(19) .
Gd1' N9 2.56(2) .
Gd1' O5 2.75(5) .
Gd1' C29 2.76(5) 2_664
Gd1' O1 2.77(5) .
Gd1' Gd3 3.57(5) 2_664
Gd2 O6 2.133(11) .
Gd2 O3 2.309(14) .
Gd2 O9 2.323(15) .
Gd2 O2 2.345(14) .
Gd2 O13 2.451(15) .
Gd2 N11 2.583(17) .
Gd2 N12 2.60(2) .
Gd2 O14 2.599(14) .
Gd3 O15 2.265(15) .
Gd3 O10 2.325(16) .
Gd3 O4 2.368(15) .
Gd3 O14 2.379(15) .
Gd3 O7 2.399(15) .
Gd3 O18 2.485(18) .
Gd3 O11 2.538(16) 2_665
Gd3 O17 2.583(17) .
Gd3 O8 2.835(13) .
Gd3 Gd1' 3.57(5) 2_665
N1 C9 1.31(3) .
N1 C7 1.33(3) .
N1 H1 0.8600 .
N2 C9 1.37(3) .
N2 C6 1.40(3) .
N3 C18 1.32(3) .
N3 C15 1.38(3) .
N3 H3 0.8600 .
N4 C18 1.36(3) .
N4 C16 1.37(3) .
N5 C27 1.33(2) .
N5 C25 1.36(2) .
N5 H5 0.8600 .
N6 C27 1.37(2) .
N6 C24 1.39(2) .
N7 C36 1.37(3) .
N7 C34 1.40(3) .
N7 H7 0.8600 .
N8 C36 1.32(3) .
N8 C33 1.40(3) .
N9 C41 1.31(3) .
N9 C37 1.39(3) .
N10 C46 1.32(2) .
N10 C42 1.36(3) .
N11 C53 1.33(3) .
N11 C49 1.34(3) .
N12 C58 1.30(3) .
N12 C54 1.33(3) .
N13 O19 1.21(3) .
N13 O18 1.21(2) .
N13 O17 1.26(2) .
O1 C1 1.26(2) .
O2 C1 1.20(2) .
O3 C2 1.27(3) .
O4 C2 1.24(2) .
O5 C10 1.31(2) .
O6 C10 1.66(2) .
O7 C11 1.22(2) .
O8 C11 1.31(3) .
O8 Gd1' 2.15(2) 2_665
O8 Gd1 2.331(14) 2_665
O9 C19 1.29(2) .
O10 C19 1.26(3) .
O11 C20 1.33(3) .
O11 Gd3 2.538(16) 2_664
O12 C20 1.20(2) .
O13 C28 1.25(3) .
O14 C28 1.37(3) .
O15 C29 1.32(3) .
O16 C29 1.19(3) .
O16 Gd1' 2.05(3) 2_665
O16 Gd1 2.349(15) 2_665
O20 H20C 0.8501 .
O20 H20D 0.8499 .
O21 H21C 0.8500 .
O21 H21D 0.8500 .
C1 C3 1.60(3) .
C2 C4 1.48(3) .
C3 C8 1.33(3) .
C3 C4 1.41(3) .
C4 C5 1.37(3) .
C5 C6 1.40(3) .
C5 H5A 0.9300 .
C6 C7 1.41(3) .
C7 C8 1.41(3) .
C8 H8A 0.9300 .
C9 H9 0.9300 .
C10 C12 1.50(3) .
C11 C13 1.48(3) 2_665
C12 C17 1.36(3) .
C12 C13 1.45(3) .
C13 C14 1.42(3) .
C13 C11 1.48(3) 2_664
C14 C15 1.35(3) .
C14 H14 0.9300 .
C15 C16 1.40(3) .
C16 C17 1.36(3) .
C17 H17 0.9300 .
C18 H18 0.9300 .
C19 C21 1.44(3) .
C20 C22 1.51(3) 2_664
C21 C26 1.36(3) .
C21 C22 1.43(2) .
C22 C23 1.30(3) .
C22 C20 1.51(3) 2_665
C23 C24 1.40(3) .
C23 H23 0.9300 .
C24 C25 1.40(2) .
C25 C26 1.38(3) .
C26 H26 0.9300 .
C27 H27 0.9300 .
C28 C30 1.48(3) .
C29 C31 1.49(3) .
C29 Gd1' 2.76(5) 2_665
C30 C31 1.40(3) .
C30 C35 1.43(3) .
C31 C32 1.41(3) .
C32 C33 1.36(3) .
C32 H32 0.9300 .
C33 C34 1.41(3) .
C34 C35 1.33(3) .
C35 H35 0.9300 .
C36 H36 0.9300 .
C37 C38 1.36(3) .
C37 H37 0.9300 .
C38 C39 1.33(3) .
C38 H38 0.9300 .
C39 C40 1.41(3) .
C39 H39 0.9300 .
C40 C41 1.46(3) .
C40 C47 1.49(3) .
C41 C42 1.37(3) .
C42 C43 1.45(3) .
C43 C48 1.43(3) .
C43 C44 1.49(3) .
C44 C45 1.29(3) .
C44 H44 0.9300 .
C45 C46 1.44(3) .
C45 H45 0.9300 .
C46 H46 0.9300 .
C47 C48 1.18(3) .
C47 H47 0.9300 .
C48 H48 0.9300 .
C49 C50 1.43(3) .
C49 H49 0.9300 .
C50 C51 1.46(3) .
C50 H50 0.9300 .
C51 C52 1.34(3) .
C51 H51 0.9300 .
C52 C53 1.44(3) .
C52 C59 1.46(3) .
C53 C54 1.45(3) .
C54 C55 1.47(3) .
C55 C56 1.33(3) .
C55 C60 1.38(3) .
C56 C57 1.31(3) .
C56 H56 0.9300 .
C57 C58 1.38(3) .
C57 H57 0.9300 .
C58 H58 0.9300 .
C59 C60 1.36(3) .
C59 H59 0.9300 .
C60 H60 0.9300 .
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
O16 Gd1' N9 C41 96(3) 2_664 .
O11 Gd1' N9 C41 -164.0(19) . .
O8 Gd1' N9 C41 67(44) 2_664 .
O12 Gd1' N9 C41 -107(2) . .
O5 Gd1' N9 C41 -42(2) . .
C29 Gd1' N9 C41 117(2) 2_664 .
O1 Gd1' N9 C41 27(2) . .
Gd3 Gd1' N9 C41 165.8(17) 2_664 .
O16 Gd1' N9 C37 -64(2) 2_664 .
O11 Gd1' N9 C37 35.7(17) . .
O8 Gd1' N9 C37 -93(43) 2_664 .
O12 Gd1' N9 C37 93(2) . .
O5 Gd1' N9 C37 158.0(16) . .
C29 Gd1' N9 C37 -43.2(18) 2_664 .
O1 Gd1' N9 C37 -133.3(17) . .
Gd3 Gd1' N9 C37 5.6(16) 2_664 .
O16 Gd1' N9 Gd1 110.2(18) 2_664 .
O11 Gd1' N9 Gd1 -150.0(17) . .
O8 Gd1' N9 Gd1 81(43) 2_664 .
O12 Gd1' N9 Gd1 -92.9(18) . .
O5 Gd1' N9 Gd1 -27.8(13) . .
C29 Gd1' N9 Gd1 131.1(16) 2_664 .
O1 Gd1' N9 Gd1 41.0(12) . .
Gd3 Gd1' N9 Gd1 179.8(15) 2_664 .
O5 Gd1 N9 C41 -56.7(17) . .
O1 Gd1 N9 C41 42.8(16) . .
O8 Gd1 N9 C41 161.0(14) 2_664 .
O16 Gd1 N9 C41 111.2(16) 2_664 .
O12 Gd1 N9 C41 -119.1(15) . .
N10 Gd1 N9 C41 -22.0(14) . .
O11 Gd1 N9 C41 -168.6(15) . .
O5 Gd1 N9 C37 141.6(15) . .
O1 Gd1 N9 C37 -118.9(16) . .
O8 Gd1 N9 C37 -1(2) 2_664 .
O16 Gd1 N9 C37 -50.5(16) 2_664 .
O12 Gd1 N9 C37 79.2(17) . .
N10 Gd1 N9 C37 176.4(18) . .
O11 Gd1 N9 C37 29.7(16) . .
O5 Gd1 N9 Gd1' 135.0(13) . .
O1 Gd1 N9 Gd1' -125.4(11) . .
O8 Gd1 N9 Gd1' -7.3(14) 2_664 .
O16 Gd1 N9 Gd1' -57.1(11) 2_664 .
O12 Gd1 N9 Gd1' 72.7(11) . .
N10 Gd1 N9 Gd1' 169.8(12) . .
O11 Gd1 N9 Gd1' 23.1(11) . .
O5 Gd1 N10 C46 -22.9(16) . .
O1 Gd1 N10 C46 65.0(16) . .
O8 Gd1 N10 C46 -1(2) 2_664 .
O16 Gd1 N10 C46 131.0(16) 2_664 .
O12 Gd1 N10 C46 -99.8(16) . .
N9 Gd1 N10 C46 -178.2(18) . .
O11 Gd1 N10 C46 -132.0(15) . .
O5 Gd1 N10 C42 176.6(15) . .
O1 Gd1 N10 C42 -95.4(14) . .
O8 Gd1 N10 C42 -161.5(13) 2_664 .
O16 Gd1 N10 C42 -29.5(16) 2_664 .
O12 Gd1 N10 C42 99.7(14) . .
N9 Gd1 N10 C42 21.4(13) . .
O11 Gd1 N10 C42 67.5(16) . .
O6 Gd2 N11 C53 119.6(16) . .
O3 Gd2 N11 C53 163.5(13) . .
O9 Gd2 N11 C53 -88.3(16) . .
O2 Gd2 N11 C53 -172.9(16) . .
O13 Gd2 N11 C53 40.5(17) . .
N12 Gd2 N11 C53 -15.9(15) . .
O14 Gd2 N11 C53 -14(2) . .
O6 Gd2 N11 C49 -48.6(16) . .
O3 Gd2 N11 C49 -5(2) . .
O9 Gd2 N11 C49 103.6(17) . .
O2 Gd2 N11 C49 19.0(16) . .
O13 Gd2 N11 C49 -127.7(16) . .
N12 Gd2 N11 C49 175.9(19) . .
O14 Gd2 N11 C49 177.8(14) . .
O6 Gd2 N12 C58 135.5(16) . .
O3 Gd2 N12 C58 11(2) . .
O9 Gd2 N12 C58 -68.5(17) . .
O2 Gd2 N12 C58 -138.1(16) . .
O13 Gd2 N12 C58 62.4(17) . .
N11 Gd2 N12 C58 -170.2(19) . .
O14 Gd2 N12 C58 11.0(17) . .
O6 Gd2 N12 C54 -35.4(18) . .
O3 Gd2 N12 C54 -160.3(14) . .
O9 Gd2 N12 C54 120.7(17) . .
O2 Gd2 N12 C54 51.0(18) . .
O13 Gd2 N12 C54 -108.5(16) . .
N11 Gd2 N12 C54 19.0(15) . .
O14 Gd2 N12 C54 -159.9(16) . .
O5 Gd1 O1 C1 64(3) . .
O8 Gd1 O1 C1 137(3) 2_664 .
O16 Gd1 O1 C1 -137(3) 2_664 .
O12 Gd1 O1 C1 39(4) . .
N9 Gd1 O1 C1 -71(3) . .
N10 Gd1 O1 C1 -15(3) . .
O11 Gd1 O1 C1 -170(3) . .
O5 Gd1 O1 Gd1' -132.7(14) . .
O8 Gd1 O1 Gd1' -60.1(14) 2_664 .
O16 Gd1 O1 Gd1' 26.4(14) 2_664 .
O12 Gd1 O1 Gd1' -158(2) . .
N9 Gd1 O1 Gd1' 92.5(14) . .
N10 Gd1 O1 Gd1' 148.7(14) . .
O11 Gd1 O1 Gd1' -6.3(15) . .
O16 Gd1' O1 C1 -118(6) 2_664 .
O11 Gd1' O1 C1 -168(5) . .
O8 Gd1' O1 C1 139(6) 2_664 .
O12 Gd1' O1 C1 40(6) . .
N9 Gd1' O1 C1 -44(6) . .
O5 Gd1' O1 C1 71(6) . .
C29 Gd1' O1 C1 -131(6) 2_664 .
Gd3 Gd1' O1 C1 174(6) 2_664 .
O16 Gd1' O1 Gd1 -148.6(17) 2_664 .
O11 Gd1' O1 Gd1 161(5) . .
O8 Gd1' O1 Gd1 108.8(18) 2_664 .
O12 Gd1' O1 Gd1 10.3(11) . .
N9 Gd1' O1 Gd1 -73.9(16) . .
O5 Gd1' O1 Gd1 40.9(13) . .
C29 Gd1' O1 Gd1 -161.5(17) 2_664 .
Gd3 Gd1' O1 Gd1 144.2(18) 2_664 .
O6 Gd2 O2 C1 -29.9(16) . .
O3 Gd2 O2 C1 52.2(16) . .
O9 Gd2 O2 C1 151.9(17) . .
O13 Gd2 O2 C1 0(2) . .
N11 Gd2 O2 C1 -113.1(17) . .
N12 Gd2 O2 C1 -142.2(16) . .
O14 Gd2 O2 C1 85.1(17) . .
O6 Gd2 O3 C2 123(2) . .
O9 Gd2 O3 C2 -29(2) . .
O2 Gd2 O3 C2 54(2) . .
O13 Gd2 O3 C2 -152(2) . .
N11 Gd2 O3 C2 78(2) . .
N12 Gd2 O3 C2 -103(2) . .
O14 Gd2 O3 C2 -103(2) . .
O15 Gd3 O4 C2 73.4(19) . .
O10 Gd3 O4 C2 -68.6(16) . .
O14 Gd3 O4 C2 -4.9(17) . .
O7 Gd3 O4 C2 -157.3(17) . .
O18 Gd3 O4 C2 128.7(17) . .
O11 Gd3 O4 C2 -91.5(17) 2_665 .
O17 Gd3 O4 C2 77.5(16) . .
O8 Gd3 O4 C2 179.1(15) . .
Gd1' Gd3 O4 C2 -144.8(16) 2_665 .
O1 Gd1 O5 C10 34.2(16) . .
O8 Gd1 O5 C10 -56.9(16) 2_664 .
O16 Gd1 O5 C10 -12(2) 2_664 .
O12 Gd1 O5 C10 -154.0(16) . .
N9 Gd1 O5 C10 142.6(15) . .
N10 Gd1 O5 C10 111.2(16) . .
O11 Gd1 O5 C10 -118.9(15) . .
O1 Gd1 O5 Gd1' 132.3(15) . .
O8 Gd1 O5 Gd1' 41.2(15) 2_664 .
O16 Gd1 O5 Gd1' 85.6(18) 2_664 .
O12 Gd1 O5 Gd1' -55.8(15) . .
N9 Gd1 O5 Gd1' -119.3(16) . .
N10 Gd1 O5 Gd1' -150.7(15) . .
O11 Gd1 O5 Gd1' -20.8(14) . .
O16 Gd1' O5 C10 35(4) 2_664 .
O11 Gd1' O5 C10 -118.0(16) . .
O8 Gd1' O5 C10 -42(2) 2_664 .
O12 Gd1' O5 C10 -153.7(17) . .
N9 Gd1' O5 C10 134.0(16) . .
C29 Gd1' O5 C10 0(5) 2_664 .
O1 Gd1' O5 C10 49.1(19) . .
Gd3 Gd1' O5 C10 -69.1(19) 2_664 .
O16 Gd1' O5 Gd1 -55(3) 2_664 .
O11 Gd1' O5 Gd1 152(2) . .
O8 Gd1' O5 Gd1 -132.2(17) 2_664 .
O12 Gd1' O5 Gd1 115.9(18) . .
N9 Gd1' O5 Gd1 43.6(16) . .
C29 Gd1' O5 Gd1 -91(4) 2_664 .
O1 Gd1' O5 Gd1 -41.4(13) . .
Gd3 Gd1' O5 Gd1 -159.6(17) 2_664 .
O3 Gd2 O6 C10 153.4(13) . .
O9 Gd2 O6 C10 -128.7(14) . .
O2 Gd2 O6 C10 -132.3(13) . .
O13 Gd2 O6 C10 63.5(13) . .
N11 Gd2 O6 C10 -51.8(13) . .
N12 Gd2 O6 C10 -4.2(14) . .
O14 Gd2 O6 C10 96.6(13) . .
O15 Gd3 O7 C11 2.6(19) . .
O10 Gd3 O7 C11 143.7(17) . .
O4 Gd3 O7 C11 -144.6(17) . .
O14 Gd3 O7 C11 107.3(18) . .
O18 Gd3 O7 C11 -66.7(17) . .
O11 Gd3 O7 C11 77.0(17) 2_665 .
O17 Gd3 O7 C11 -81.5(17) . .
O8 Gd3 O7 C11 8.9(15) . .
Gd1' Gd3 O7 C11 41.4(16) 2_665 .
O15 Gd3 O8 C11 166.3(15) . .
O10 Gd3 O8 C11 -61.6(15) . .
O4 Gd3 O8 C11 23.6(15) . .
O14 Gd3 O8 C11 -151.5(13) . .
O7 Gd3 O8 C11 -8.0(14) . .
O18 Gd3 O8 C11 77.3(14) . .
O11 Gd3 O8 C11 -105.3(14) 2_665 .
O17 Gd3 O8 C11 104.5(14) . .
Gd1' Gd3 O8 C11 -129.4(15) 2_665 .
O15 Gd3 O8 Gd1' -64.3(7) . 2_665
O10 Gd3 O8 Gd1' 67.8(7) . 2_665
O4 Gd3 O8 Gd1' 153.0(6) . 2_665
O14 Gd3 O8 Gd1' -22.1(8) . 2_665
O7 Gd3 O8 Gd1' 121.4(9) . 2_665
O18 Gd3 O8 Gd1' -153.2(7) . 2_665
O11 Gd3 O8 Gd1' 24.1(6) 2_665 2_665
O17 Gd3 O8 Gd1' -126.0(6) . 2_665
O15 Gd3 O8 Gd1 -65.0(6) . 2_665
O10 Gd3 O8 Gd1 67.1(7) . 2_665
O4 Gd3 O8 Gd1 152.3(6) . 2_665
O14 Gd3 O8 Gd1 -22.8(8) . 2_665
O7 Gd3 O8 Gd1 120.7(9) . 2_665
O18 Gd3 O8 Gd1 -154.0(7) . 2_665
O11 Gd3 O8 Gd1 23.4(5) 2_665 2_665
O17 Gd3 O8 Gd1 -126.8(6) . 2_665
Gd1' Gd3 O8 Gd1 -0.7(3) 2_665 2_665
O6 Gd2 O9 C19 -106.5(17) . .
O3 Gd2 O9 C19 -34.2(16) . .
O2 Gd2 O9 C19 -103.2(16) . .
O13 Gd2 O9 C19 59.0(18) . .
N11 Gd2 O9 C19 -179.6(16) . .
N12 Gd2 O9 C19 119.3(17) . .
O14 Gd2 O9 C19 36.5(16) . .
O15 Gd3 O10 C19 -2(2) . .
O4 Gd3 O10 C19 146(2) . .
O14 Gd3 O10 C19 30(2) . .
O7 Gd3 O10 C19 -133(2) . .
O18 Gd3 O10 C19 174.8(19) . .
O11 Gd3 O10 C19 -51(2) 2_665 .
O17 Gd3 O10 C19 102(2) . .
O8 Gd3 O10 C19 -95(2) . .
Gd1' Gd3 O10 C19 -61(2) 2_665 .
O16 Gd1' O11 C20 159.8(15) 2_664 .
O8 Gd1' O11 C20 -100.9(16) 2_664 .
O12 Gd1' O11 C20 2.9(13) . .
N9 Gd1' O11 C20 82.4(16) . .
O5 Gd1' O11 C20 -37.7(18) . .
C29 Gd1' O11 C20 169.2(15) 2_664 .
O1 Gd1' O11 C20 -153(4) . .
Gd3 Gd1' O11 C20 -132.0(16) 2_664 .
O16 Gd1' O11 Gd3 -68.2(9) 2_664 2_664
O8 Gd1' O11 Gd3 31.2(11) 2_664 2_664
O12 Gd1' O11 Gd3 135.0(9) . 2_664
N9 Gd1' O11 Gd3 -145.6(9) . 2_664
O5 Gd1' O11 Gd3 94.3(11) . 2_664
C29 Gd1' O11 Gd3 -58.8(7) 2_664 2_664
O1 Gd1' O11 Gd3 -21(5) . 2_664
O16 Gd1' O11 Gd1 158(3) 2_664 .
O8 Gd1' O11 Gd1 -103(3) 2_664 .
O12 Gd1' O11 Gd1 1(3) . .
N9 Gd1' O11 Gd1 81(3) . .
O5 Gd1' O11 Gd1 -39(3) . .
C29 Gd1' O11 Gd1 168(3) 2_664 .
O1 Gd1' O11 Gd1 -155(6) . .
Gd3 Gd1' O11 Gd1 -134(3) 2_664 .
O5 Gd1 O11 C20 -45.2(14) . .
O1 Gd1 O11 C20 -165.1(13) . .
O8 Gd1 O11 C20 -107.3(14) 2_664 .
O16 Gd1 O11 C20 162.5(14) 2_664 .
O12 Gd1 O11 C20 3.0(13) . .
N9 Gd1 O11 C20 88.8(13) . .
N10 Gd1 O11 C20 48.0(15) . .
O5 Gd1 O11 Gd1' 133(3) . .
O1 Gd1 O11 Gd1' 13(3) . .
O8 Gd1 O11 Gd1' 71(3) 2_664 .
O16 Gd1 O11 Gd1' -19(3) 2_664 .
O12 Gd1 O11 Gd1' -179(3) . .
N9 Gd1 O11 Gd1' -93(3) . .
N10 Gd1 O11 Gd1' -134(3) . .
O5 Gd1 O11 Gd3 85.6(6) . 2_664
O1 Gd1 O11 Gd3 -34.3(12) . 2_664
O8 Gd1 O11 Gd3 23.5(5) 2_664 2_664
O16 Gd1 O11 Gd3 -66.7(6) 2_664 2_664
O12 Gd1 O11 Gd3 133.9(9) . 2_664
N9 Gd1 O11 Gd3 -140.4(6) . 2_664
N10 Gd1 O11 Gd3 178.9(6) . 2_664
O16 Gd1' O12 C20 -53(5) 2_664 .
O11 Gd1' O12 C20 -3.3(15) . .
O8 Gd1' O12 C20 79(3) 2_664 .
N9 Gd1' O12 C20 -101.7(19) . .
O5 Gd1' O12 C20 139.0(17) . .
C29 Gd1' O12 C20 -23(2) 2_664 .
O1 Gd1' O12 C20 169.2(15) . .
Gd3 Gd1' O12 C20 26.5(16) 2_664 .
O16 Gd1' O12 Gd1 131(5) 2_664 .
O11 Gd1' O12 Gd1 -179.4(14) . .
O8 Gd1' O12 Gd1 -97(2) 2_664 .
N9 Gd1' O12 Gd1 82.2(16) . .
O5 Gd1' O12 Gd1 -37.1(11) . .
C29 Gd1' O12 Gd1 161(2) 2_664 .
O1 Gd1' O12 Gd1 -7.0(8) . .
Gd3 Gd1' O12 Gd1 -149.7(14) 2_664 .
O5 Gd1 O12 C20 131.5(17) . .
O1 Gd1 O12 C20 157.3(17) . .
O8 Gd1 O12 C20 60.0(17) 2_664 .
O16 Gd1 O12 C20 -27.8(18) 2_664 .
N9 Gd1 O12 C20 -89.1(17) . .
N10 Gd1 O12 C20 -151.4(17) . .
O11 Gd1 O12 C20 -3.5(15) . .
O5 Gd1 O12 Gd1' 135.6(12) . .
O1 Gd1 O12 Gd1' 161.3(19) . .
O8 Gd1 O12 Gd1' 64.0(12) 2_664 .
O16 Gd1 O12 Gd1' -23.7(13) 2_664 .
N9 Gd1 O12 Gd1' -85.0(12) . .
N10 Gd1 O12 Gd1' -147.3(12) . .
O11 Gd1 O12 Gd1' 0.5(12) . .
O6 Gd2 O13 C28 153.1(15) . .
O3 Gd2 O13 C28 78.1(15) . .
O9 Gd2 O13 C28 -20.0(17) . .
O2 Gd2 O13 C28 126.1(15) . .
N11 Gd2 O13 C28 -131.7(15) . .
N12 Gd2 O13 C28 -81.2(15) . .
O14 Gd2 O13 C28 9.0(14) . .
O15 Gd3 O14 C28 -35.7(16) . .
O10 Gd3 O14 C28 168.3(18) . .
O4 Gd3 O14 C28 105.3(17) . .
O7 Gd3 O14 C28 -153.3(15) . .
O18 Gd3 O14 C28 18(2) . .
O11 Gd3 O14 C28 -122.4(17) 2_665 .
O17 Gd3 O14 C28 34.4(17) . .
O8 Gd3 O14 C28 -79.0(18) . .
Gd1' Gd3 O14 C28 -92.1(17) 2_665 .
O15 Gd3 O14 Gd2 -153.6(8) . .
O10 Gd3 O14 Gd2 50.4(6) . .
O4 Gd3 O14 Gd2 -12.6(8) . .
O7 Gd3 O14 Gd2 88.8(12) . .
O18 Gd3 O14 Gd2 -99.4(8) . .
O11 Gd3 O14 Gd2 119.7(7) 2_665 .
O17 Gd3 O14 Gd2 -83.5(7) . .
O8 Gd3 O14 Gd2 163.1(5) . .
Gd1' Gd3 O14 Gd2 150.0(6) 2_665 .
O6 Gd2 O14 C28 -52.9(14) . .
O3 Gd2 O14 C28 -110.6(13) . .
O9 Gd2 O14 C28 147.4(14) . .
O2 Gd2 O14 C28 -142.8(13) . .
O13 Gd2 O14 C28 -8.0(12) . .
N11 Gd2 O14 C28 67.9(16) . .
N12 Gd2 O14 C28 69.6(13) . .
O6 Gd2 O14 Gd3 83.8(8) . .
O3 Gd2 O14 Gd3 26.1(6) . .
O9 Gd2 O14 Gd3 -75.9(7) . .
O2 Gd2 O14 Gd3 -6.2(11) . .
O13 Gd2 O14 Gd3 128.7(10) . .
N11 Gd2 O14 Gd3 -155.4(7) . .
N12 Gd2 O14 Gd3 -153.7(7) . .
O10 Gd3 O15 C29 -35(2) . .
O4 Gd3 O15 C29 -160.3(15) . .
O14 Gd3 O15 C29 -68.7(17) . .
O7 Gd3 O15 C29 82.5(18) . .
O18 Gd3 O15 C29 146.3(18) . .
O11 Gd3 O15 C29 8.8(17) 2_665 .
O17 Gd3 O15 C29 -164.4(19) . .
O8 Gd3 O15 C29 77.5(17) . .
Gd1' Gd3 O15 C29 38.9(17) 2_665 .
O19 N13 O17 Gd3 -172(2) . .
O18 N13 O17 Gd3 5(2) . .
O15 Gd3 O17 N13 -99.8(13) . .
O10 Gd3 O17 N13 126.9(12) . .
O4 Gd3 O17 N13 82.8(13) . .
O14 Gd3 O17 N13 -168.3(13) . .
O7 Gd3 O17 N13 15.8(14) . .
O18 Gd3 O17 N13 -3.0(12) . .
O11 Gd3 O17 N13 -114.1(15) 2_665 .
O8 Gd3 O17 N13 -37.0(13) . .
Gd1' Gd3 O17 N13 -74.3(15) 2_665 .
O19 N13 O18 Gd3 172(2) . .
O17 N13 O18 Gd3 -5(2) . .
O15 Gd3 O18 N13 74.2(14) . .
O10 Gd3 O18 N13 -103.6(16) . .
O4 Gd3 O18 N13 -75.9(14) . .
O14 Gd3 O18 N13 24.3(17) . .
O7 Gd3 O18 N13 -159.7(15) . .
O11 Gd3 O18 N13 144.8(12) 2_665 .
O17 Gd3 O18 N13 3.2(12) . .
O8 Gd3 O18 N13 148.3(15) . .
Gd1' Gd3 O18 N13 132.2(13) 2_665 .
Gd2 O2 C1 O1 84(2) . .
Gd2 O2 C1 C3 -102.7(18) . .
Gd1 O1 C1 O2 -122(3) . .
Gd1' O1 C1 O2 -136(5) . .
Gd1 O1 C1 C3 64(4) . .
Gd1' O1 C1 C3 50(7) . .
Gd3 O4 C2 O3 -11(3) . .
Gd3 O4 C2 C4 166.5(15) . .
Gd2 O3 C2 O4 100(3) . .
Gd2 O3 C2 C4 -77(3) . .
O2 C1 C3 C8 -132(2) . .
O1 C1 C3 C8 42(3) . .
O2 C1 C3 C4 46(3) . .
O1 C1 C3 C4 -140(2) . .
C8 C3 C4 C5 2(3) . .
C1 C3 C4 C5 -176.1(19) . .
C8 C3 C4 C2 -173(2) . .
C1 C3 C4 C2 10(3) . .
O4 C2 C4 C5 16(3) . .
O3 C2 C4 C5 -167(2) . .
O4 C2 C4 C3 -170(2) . .
O3 C2 C4 C3 8(4) . .
C3 C4 C5 C6 -3(3) . .
C2 C4 C5 C6 172(2) . .
C9 N2 C6 C5 -178(2) . .
C9 N2 C6 C7 2(2) . .
C4 C5 C6 N2 -179(2) . .
C4 C5 C6 C7 1(3) . .
C9 N1 C7 C8 178(2) . .
C9 N1 C7 C6 5(3) . .
N2 C6 C7 N1 -5(3) . .
C5 C6 C7 N1 176(2) . .
N2 C6 C7 C8 -178.9(19) . .
C5 C6 C7 C8 1(3) . .
C4 C3 C8 C7 1(3) . .
C1 C3 C8 C7 178.8(19) . .
N1 C7 C8 C3 -175(2) . .
C6 C7 C8 C3 -2(3) . .
C7 N1 C9 N2 -4(3) . .
C6 N2 C9 N1 1(3) . .
Gd1 O5 C10 C12 101.2(19) . .
Gd1' O5 C10 C12 87(2) . .
Gd1 O5 C10 O6 -62.8(17) . .
Gd1' O5 C10 O6 -77.0(19) . .
Gd2 O6 C10 O5 -175.4(10) . .
Gd2 O6 C10 C12 26(3) . .
Gd3 O7 C11 O8 -17(3) . .
Gd3 O7 C11 C13 159.4(18) . 2_665
Gd1' O8 C11 O7 -71(4) 2_665 .
Gd1 O8 C11 O7 -92(2) 2_665 .
Gd3 O8 C11 O7 14(2) . .
Gd1' O8 C11 C13 113(3) 2_665 2_665
Gd1 O8 C11 C13 92(3) 2_665 2_665
Gd3 O8 C11 C13 -162(2) . 2_665
O5 C10 C12 C17 138.1(19) . .
O6 C10 C12 C17 -65(3) . .
O5 C10 C12 C13 -37(3) . .
O6 C10 C12 C13 120(2) . .
C17 C12 C13 C14 3(3) . .
C10 C12 C13 C14 178.1(19) . .
C17 C12 C13 C11 -179(2) . 2_664
C10 C12 C13 C11 -4(3) . 2_664
C12 C13 C14 C15 -2(3) . .
C11 C13 C14 C15 179(2) 2_664 .
C13 C14 C15 N3 -178(2) . .
C13 C14 C15 C16 -1(3) . .
C18 N3 C15 C14 180(2) . .
C18 N3 C15 C16 3(3) . .
C18 N4 C16 C17 177(3) . .
C18 N4 C16 C15 0(3) . .
C14 C15 C16 C17 3(4) . .
N3 C15 C16 C17 -179(2) . .
C14 C15 C16 N4 -179(2) . .
N3 C15 C16 N4 -2(3) . .
N4 C16 C17 C12 -179(2) . .
C15 C16 C17 C12 -2(3) . .
C13 C12 C17 C16 -1(3) . .
C10 C12 C17 C16 -176.2(19) . .
C15 N3 C18 N4 -2(3) . .
C16 N4 C18 N3 1(3) . .
Gd3 O10 C19 O9 -84(3) . .
Gd3 O10 C19 C21 106(2) . .
Gd2 O9 C19 O10 23(3) . .
Gd2 O9 C19 C21 -167.7(14) . .
Gd1' O12 C20 O11 5(2) . .
Gd1 O12 C20 O11 6(3) . .
Gd1' O12 C20 C22 170(2) . 2_664
Gd1 O12 C20 C22 171.3(17) . 2_664
Gd1' O11 C20 O12 -5(2) . .
Gd3 O11 C20 O12 -114(2) 2_664 .
Gd1 O11 C20 O12 -5(2) . .
Gd1' O11 C20 C22 -170(2) . 2_664
Gd3 O11 C20 C22 81(3) 2_664 2_664
Gd1 O11 C20 C22 -170(2) . 2_664
O10 C19 C21 C26 133(2) . .
O9 C19 C21 C26 -37(3) . .
O10 C19 C21 C22 -43(3) . .
O9 C19 C21 C22 147(2) . .
C26 C21 C22 C23 -2(4) . .
C19 C21 C22 C23 173(2) . .
C26 C21 C22 C20 177.5(19) . 2_665
C19 C21 C22 C20 -7(4) . 2_665
C21 C22 C23 C24 -1(3) . .
C20 C22 C23 C24 179.6(19) 2_665 .
C27 N6 C24 C25 0(2) . .
C27 N6 C24 C23 178(2) . .
C22 C23 C24 N6 -174(2) . .
C22 C23 C24 C25 3(3) . .
C27 N5 C25 C26 -174(2) . .
C27 N5 C25 C24 0(2) . .
N6 C24 C25 N5 0(3) . .
C23 C24 C25 N5 -178.3(18) . .
N6 C24 C25 C26 175.2(18) . .
C23 C24 C25 C26 -3(3) . .
C22 C21 C26 C25 2(3) . .
C19 C21 C26 C25 -174(2) . .
N5 C25 C26 C21 174(2) . .
C24 C25 C26 C21 0(3) . .
C25 N5 C27 N6 0(2) . .
C24 N6 C27 N5 0(2) . .
Gd2 O13 C28 O14 -14(2) . .
Gd2 O13 C28 C30 146(2) . .
Gd3 O14 C28 O13 -113.7(19) . .
Gd2 O14 C28 O13 13(2) . .
Gd3 O14 C28 C30 86(3) . .
Gd2 O14 C28 C30 -147(2) . .
Gd1' O16 C29 O15 55(3) 2_665 .
Gd1 O16 C29 O15 50(3) 2_665 .
Gd1' O16 C29 C31 -131.3(19) 2_665 .
Gd1 O16 C29 C31 -135.8(18) 2_665 .
Gd1 O16 C29 Gd1' -4.5(8) 2_665 2_665
Gd3 O15 C29 O16 -79(3) . .
Gd3 O15 C29 C31 107(2) . .
Gd3 O15 C29 Gd1' -45.3(19) . 2_665
O13 C28 C30 C31 165(3) . .
O14 C28 C30 C31 -38(4) . .
O13 C28 C30 C35 -20(4) . .
O14 C28 C30 C35 137(2) . .
C35 C30 C31 C32 -3(4) . .
C28 C30 C31 C32 172(2) . .
C35 C30 C31 C29 180(2) . .
C28 C30 C31 C29 -6(4) . .
O16 C29 C31 C30 158(3) . .
O15 C29 C31 C30 -27(4) . .
Gd1' C29 C31 C30 108(3) 2_665 .
O16 C29 C31 C32 -19(4) . .
O15 C29 C31 C32 155(2) . .
Gd1' C29 C31 C32 -70(3) 2_665 .
C30 C31 C32 C33 0(4) . .
C29 C31 C32 C33 178(2) . .
C31 C32 C33 N8 172(3) . .
C31 C32 C33 C34 4(4) . .
C36 N8 C33 C32 -178(3) . .
C36 N8 C33 C34 -8(3) . .
C36 N7 C34 C35 178(3) . .
C36 N7 C34 C33 -8(3) . .
C32 C33 C34 C35 -5(4) . .
N8 C33 C34 C35 -176(2) . .
C32 C33 C34 N7 -179(2) . .
N8 C33 C34 N7 10(3) . .
N7 C34 C35 C30 175(2) . .
C33 C34 C35 C30 2(4) . .
C31 C30 C35 C34 2(4) . .
C28 C30 C35 C34 -173(2) . .
C33 N8 C36 N7 3(3) . .
C34 N7 C36 N8 3(3) . .
C41 N9 C37 C38 2(3) . .
Gd1' N9 C37 C38 165(2) . .
Gd1 N9 C37 C38 163.3(19) . .
N9 C37 C38 C39 -12(4) . .
C37 C38 C39 C40 10(4) . .
C38 C39 C40 C41 0(4) . .
C38 C39 C40 C47 166(3) . .
C37 N9 C41 C42 -175(2) . .
Gd1' N9 C41 C42 26(3) . .
Gd1 N9 C41 C42 22(3) . .
C37 N9 C41 C40 9(3) . .
Gd1' N9 C41 C40 -149.5(18) . .
Gd1 N9 C41 C40 -153.5(17) . .
C39 C40 C41 N9 -11(3) . .
C47 C40 C41 N9 -178(2) . .
C39 C40 C41 C42 174(2) . .
C47 C40 C41 C42 6(3) . .
C46 N10 C42 C41 178(2) . .
Gd1 N10 C42 C41 -20(2) . .
C46 N10 C42 C43 1(3) . .
Gd1 N10 C42 C43 162.0(16) . .
N9 C41 C42 N10 -1(3) . .
C40 C41 C42 N10 175(2) . .
N9 C41 C42 C43 177(2) . .
C40 C41 C42 C43 -8(3) . .
N10 C42 C43 C48 179.3(19) . .
C41 C42 C43 C48 2(3) . .
N10 C42 C43 C44 3(3) . .
C41 C42 C43 C44 -175(2) . .
C48 C43 C44 C45 -179(2) . .
C42 C43 C44 C45 -3(3) . .
C43 C44 C45 C46 0(3) . .
C42 N10 C46 C45 -4(3) . .
Gd1 N10 C46 C45 -164.2(15) . .
C44 C45 C46 N10 4(3) . .
C39 C40 C47 C48 -164(3) . .
C41 C40 C47 C48 2(4) . .
C40 C47 C48 C43 -9(4) . .
C42 C43 C48 C47 7(4) . .
C44 C43 C48 C47 -177(3) . .
C53 N11 C49 C50 -3(3) . .
Gd2 N11 C49 C50 165.2(16) . .
N11 C49 C50 C51 -4(3) . .
C49 C50 C51 C52 9(3) . .
C50 C51 C52 C53 -8(3) . .
C50 C51 C52 C59 176(2) . .
C49 N11 C53 C52 4(3) . .
Gd2 N11 C53 C52 -164.0(17) . .
C49 N11 C53 C54 -179(2) . .
Gd2 N11 C53 C54 13(3) . .
C51 C52 C53 N11 1(3) . .
C59 C52 C53 N11 177(2) . .
C51 C52 C53 C54 -176(2) . .
C59 C52 C53 C54 0(3) . .
C58 N12 C54 C53 168(2) . .
Gd2 N12 C54 C53 -21(3) . .
C58 N12 C54 C55 -5(3) . .
Gd2 N12 C54 C55 166.0(17) . .
N11 C53 C54 N12 5(3) . .
C52 C53 C54 N12 -178(2) . .
N11 C53 C54 C55 179(2) . .
C52 C53 C54 C55 -4(3) . .
N12 C54 C55 C56 -1(3) . .
C53 C54 C55 C56 -174(2) . .
N12 C54 C55 C60 -178(2) . .
C53 C54 C55 C60 9(3) . .
C60 C55 C56 C57 -178(3) . .
C54 C55 C56 C57 4(4) . .
C55 C56 C57 C58 -2(4) . .
C54 N12 C58 C57 8(3) . .
Gd2 N12 C58 C57 -163.3(17) . .
C56 C57 C58 N12 -4(4) . .
C51 C52 C59 C60 175(2) . .
C53 C52 C59 C60 0(4) . .
C52 C59 C60 C55 5(4) . .
C56 C55 C60 C59 174(3) . .
C54 C55 C60 C59 -9(4) . .
