#------------------------------------------------------------------------------
#$Date: 2016-03-21 01:21:50 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178377 $
#$URL: svn://www.crystallography.net/cod/cif/4/00/16/4001676.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_4001676
loop_
_publ_author_name
'Liu, Yu'
'Pan, Mei'
'Yang, Qing-Yuan'
'Fu, Lei'
'Li, Kang'
'Wei, Shi-Chao'
'Su, Cheng-Yong'
_publ_section_title
;
 Dual-Emission from a Single-Phase Eu--Ag Metal--Organic Framework: An
 Alternative Way to Get White-Light Phosphor
;
_journal_issue                   10
_journal_name_full               'Chemistry of Materials'
_journal_page_first              1954
_journal_paper_doi               10.1021/cm3008254
_journal_volume                  24
_journal_year                    2012
_chemical_formula_sum            'C94 H89 Ag3 Cl6 Gd N25 O25'
_chemical_formula_weight         2662.46
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_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_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 97.4470(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.24580(10)
_cell_length_b                   25.8856(2)
_cell_length_c                   27.8360(2)
_cell_measurement_reflns_used    26636
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      62.5876
_cell_measurement_theta_min      2.3366
_cell_volume                     10178.25(13)
_computing_cell_refinement
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.42 (release 29-05-2009 CrysAlis171 .NET)
(compiled May 29 2009,17:40:42)
;
_computing_data_collection
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.42 (release 29-05-2009 CrysAlis171 .NET)
(compiled May 29 2009,17:40:42)
;
_computing_data_reduction
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.42 (release 29-05-2009 CrysAlis171 .NET)
(compiled May 29 2009,17:40:42)
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 16.0855
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Xcalibur, Sapphire3, Gemini ultra'
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_source         'Enhance Ultra (Cu) X-ray Source'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0600
_diffrn_reflns_av_sigmaI/netI    0.0555
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            81244
_diffrn_reflns_theta_full        62.73
_diffrn_reflns_theta_max         62.73
_diffrn_reflns_theta_min         2.34
_exptl_absorpt_coefficient_mu    10.905
_exptl_absorpt_correction_T_max  0.4085
_exptl_absorpt_correction_T_min  0.2190
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.42 (release 29-05-2009 CrysAlis171 .NET)
(compiled May 29 2009,17:40:42)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.737
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             5340
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         2.096
_refine_diff_density_min         -4.966
_refine_diff_density_rms         0.193
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1387
_refine_ls_number_reflns         16191
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.032
_refine_ls_R_factor_all          0.0800
_refine_ls_R_factor_gt           0.0662
_refine_ls_shift/su_max          0.045
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1550P)²+1.0692P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2016
_refine_ls_wR_factor_ref         0.2096
_reflns_number_gt                12394
_reflns_number_total             16191
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cm3008254_si_001.cif
_cod_data_source_block           2-Gd-Ag
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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_sg_symbol_H-M      P2(1)/c
_cod_database_code               4001676
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'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
Gd1 Gd 0.52287(3) 0.584291(16) 0.781074(15) 0.01306(14) Uani 1 1 d .
Ag1 Ag 1.07450(5) 0.51991(2) 0.92629(3) 0.03420(19) Uani 1 1 d .
Ag2 Ag 0.91733(6) 0.61500(3) 0.46665(3) 0.0398(2) Uani 1 1 d .
Ag3 Ag -0.01542(8) 0.76006(4) 0.68396(4) 0.0697(3) Uani 1 1 d .
N1 N 0.7096(4) 0.5861(2) 0.7853(2) 0.0137(13) Uani 1 1 d .
N2 N 0.6135(4) 0.5139(2) 0.8288(2) 0.0169(14) Uani 1 1 d .
N3 N 0.7176(4) 0.4499(2) 0.8245(2) 0.0163(13) Uani 1 1 d .
N4 N 1.0156(5) 0.4498(3) 0.8930(3) 0.0320(17) Uani 1 1 d .
N5 N 0.5893(4) 0.5762(2) 0.7023(2) 0.0161(13) Uani 1 1 d .
N6 N 0.6812(4) 0.6161(2) 0.6545(2) 0.0170(13) Uani 1 1 d .
N7 N 0.9041(5) 0.6018(3) 0.5474(3) 0.0291(16) Uani 1 1 d .
N8 N 0.6075(4) 0.6626(2) 0.8196(2) 0.0162(13) Uani 1 1 d .
N9 N 0.7117(5) 0.6818(2) 0.8847(2) 0.0178(14) Uani 1 1 d .
N10 N 0.9272(5) 0.8064(3) 0.9278(3) 0.0287(17) Uani 1 1 d .
N11 N 0.3352(4) 0.5841(2) 0.7744(2) 0.0153(13) Uani 1 1 d .
N12 N 0.4376(4) 0.5007(2) 0.7556(2) 0.0162(13) Uani 1 1 d .
N13 N 0.3495(5) 0.4415(3) 0.7865(2) 0.0222(15) Uani 1 1 d .
N14 N 0.0867(7) 0.3230(4) 0.7802(3) 0.054(3) Uani 1 1 d .
N15 N 0.4360(4) 0.6492(2) 0.7250(2) 0.0192(14) Uani 1 1 d .
N16 N 0.3355(5) 0.6486(3) 0.6558(2) 0.0212(15) Uani 1 1 d .
N17 N 0.0497(6) 0.7143(4) 0.6321(4) 0.056(3) Uani 1 1 d .
N18 N 0.4506(4) 0.6015(2) 0.8571(2) 0.0156(13) Uani 1 1 d .
N19 N 0.3558(4) 0.6574(2) 0.8887(2) 0.0167(13) Uani 1 1 d .
N20 N 0.1185(5) 0.5982(3) 0.9452(3) 0.0294(17) Uani 1 1 d .
N21 N 1.0569(8) 0.5638(4) 0.4634(4) 0.055(3) Uani 1 1 d .
N22 N 0.7432(9) 0.4872(4) 0.6650(5) 0.075(4) Uani 1 1 d .
N23 N 0.7181(9) 0.6238(5) 0.4593(4) 0.071(3) Uani 1 1 d .
N24 N 0.7603(8) 0.7497(4) 0.7824(4) 0.060(3) Uani 1 1 d .
N25 N 0.2957(7) 0.5090(4) 0.9124(3) 0.048(2) Uani 1 1 d .
C1 C 0.7449(5) 0.5331(3) 0.7814(3) 0.0163(16) Uani 1 1 d .
H1A H 0.8137 0.5317 0.7926 0.020 Uiso 1 1 calc R
H1B H 0.7343 0.5214 0.7472 0.020 Uiso 1 1 calc R
C2 C 0.6928(5) 0.4987(3) 0.8121(3) 0.0180(17) Uani 1 1 d .
C3 C 0.5865(6) 0.4717(3) 0.8541(3) 0.0174(16) Uani 1 1 d .
C4 C 0.5069(6) 0.4652(3) 0.8793(3) 0.0217(17) Uani 1 1 d .
H4A H 0.4632 0.4924 0.8821 0.026 Uiso 1 1 calc R
C5 C 0.4964(6) 0.4166(3) 0.9001(3) 0.0259(19) Uani 1 1 d .
H5A H 0.4441 0.4107 0.9173 0.031 Uiso 1 1 calc R
C6 C 0.5602(7) 0.3770(3) 0.8961(3) 0.033(2) Uani 1 1 d .
H6A H 0.5498 0.3447 0.9108 0.040 Uiso 1 1 calc R
C7 C 0.6376(6) 0.3821(3) 0.8719(3) 0.0268(19) Uani 1 1 d .
H7A H 0.6804 0.3544 0.8692 0.032 Uiso 1 1 calc R
C8 C 0.6496(6) 0.4313(3) 0.8512(3) 0.0205(17) Uani 1 1 d .
C9 C 0.7940(6) 0.4196(3) 0.8069(3) 0.0234(18) Uani 1 1 d .
H9A H 0.8133 0.4371 0.7781 0.028 Uiso 1 1 calc R
H9B H 0.7687 0.3852 0.7964 0.028 Uiso 1 1 calc R
C10 C 0.8810(6) 0.4122(3) 0.8440(3) 0.0215(18) Uani 1 1 d .
C11 C 0.9096(8) 0.3653(4) 0.8604(4) 0.044(3) Uani 1 1 d .
H11A H 0.8736 0.3356 0.8496 0.052 Uiso 1 1 calc R
C12 C 0.9919(8) 0.3598(4) 0.8933(5) 0.055(3) Uani 1 1 d .
H12A H 1.0114 0.3266 0.9054 0.066 Uiso 1 1 calc R
C13 C 1.0444(7) 0.4028(3) 0.9077(4) 0.033(2) Uani 1 1 d .
H13A H 1.1022 0.3989 0.9286 0.039 Uiso 1 1 calc R
C14 C 0.9361(7) 0.4544(4) 0.8617(4) 0.035(2) Uani 1 1 d .
H14A H 0.9164 0.4880 0.8510 0.042 Uiso 1 1 calc R
C15 C 0.7348(5) 0.6173(3) 0.7443(3) 0.0165(16) Uani 1 1 d .
H15A H 0.8010 0.6102 0.7391 0.020 Uiso 1 1 calc R
H15B H 0.7289 0.6545 0.7514 0.020 Uiso 1 1 calc R
C16 C 0.6680(5) 0.6028(3) 0.6997(3) 0.0163(16) Uani 1 1 d .
C17 C 0.5482(5) 0.5713(3) 0.6546(3) 0.0179(16) Uani 1 1 d .
C18 C 0.4646(6) 0.5467(3) 0.6345(3) 0.0219(17) Uani 1 1 d .
H18A H 0.4266 0.5282 0.6543 0.026 Uiso 1 1 calc R
C19 C 0.4392(6) 0.5503(3) 0.5849(3) 0.0276(19) Uani 1 1 d .
H19A H 0.3818 0.5349 0.5706 0.033 Uiso 1 1 calc R
C20 C 0.4961(7) 0.5761(4) 0.5557(3) 0.034(2) Uani 1 1 d .
H20A H 0.4769 0.5771 0.5218 0.041 Uiso 1 1 calc R
C21 C 0.5788(6) 0.6002(3) 0.5740(3) 0.0267(19) Uani 1 1 d .
H21A H 0.6167 0.6183 0.5538 0.032 Uiso 1 1 calc R
C22 C 0.6040(5) 0.5963(3) 0.6243(3) 0.0194(16) Uani 1 1 d .
C23 C 0.7542(6) 0.6507(3) 0.6393(3) 0.0250(18) Uani 1 1 d .
H23A H 0.7838 0.6704 0.6678 0.030 Uiso 1 1 calc R
H23B H 0.7236 0.6758 0.6153 0.030 Uiso 1 1 calc R
C24 C 0.8301(6) 0.6218(3) 0.6173(3) 0.0242(18) Uani 1 1 d .
C25 C 0.8950(7) 0.5903(4) 0.6449(3) 0.038(2) Uani 1 1 d .
H25A H 0.8911 0.5855 0.6785 0.046 Uiso 1 1 calc R
C26 C 0.9647(7) 0.5661(5) 0.6238(4) 0.045(3) Uani 1 1 d .
H26A H 1.0100 0.5449 0.6425 0.054 Uiso 1 1 calc R
C27 C 0.9678(6) 0.5731(4) 0.5749(3) 0.031(2) Uani 1 1 d .
H27A H 1.0170 0.5570 0.5604 0.038 Uiso 1 1 calc R
C28 C 0.8378(6) 0.6259(3) 0.5684(3) 0.0248(18) Uani 1 1 d .
H28A H 0.7934 0.6469 0.5489 0.030 Uiso 1 1 calc R
C29 C 0.7524(5) 0.6095(3) 0.8318(3) 0.0165(16) Uani 1 1 d .
H29A H 0.7597 0.5829 0.8576 0.020 Uiso 1 1 calc R
H29B H 0.8159 0.6234 0.8283 0.020 Uiso 1 1 calc R
C30 C 0.6905(5) 0.6513(3) 0.8449(3) 0.0136(15) Uani 1 1 d .
C31 C 0.5709(5) 0.7033(3) 0.8436(3) 0.0164(16) Uani 1 1 d .
C32 C 0.4873(6) 0.7315(3) 0.8327(3) 0.0231(18) Uani 1 1 d .
H32A H 0.4450 0.7252 0.8040 0.028 Uiso 1 1 calc R
C33 C 0.4689(6) 0.7691(3) 0.8656(3) 0.0260(19) Uani 1 1 d .
H33A H 0.4135 0.7897 0.8588 0.031 Uiso 1 1 calc R
C34 C 0.5293(6) 0.7776(3) 0.9083(3) 0.0265(19) Uani 1 1 d .
H34A H 0.5115 0.8022 0.9308 0.032 Uiso 1 1 calc R
C35 C 0.6150(7) 0.7515(3) 0.9194(3) 0.0264(19) Uani 1 1 d .
H35A H 0.6568 0.7580 0.9483 0.032 Uiso 1 1 calc R
C36 C 0.6347(5) 0.7154(3) 0.8855(3) 0.0179(16) Uani 1 1 d .
C37 C 0.7948(6) 0.6793(3) 0.9207(3) 0.0226(18) Uani 1 1 d .
H37A H 0.8241 0.6447 0.9196 0.027 Uiso 1 1 calc R
H37B H 0.7755 0.6840 0.9533 0.027 Uiso 1 1 calc R
C38 C 0.8677(6) 0.7203(3) 0.9124(3) 0.0234(18) Uani 1 1 d .
C39 C 0.9381(6) 0.7112(4) 0.8826(3) 0.035(2) Uani 1 1 d .
H39A H 0.9428 0.6788 0.8669 0.042 Uiso 1 1 calc R
C40 C 1.0018(7) 0.7518(4) 0.8766(4) 0.044(3) Uani 1 1 d .
H40A H 1.0504 0.7468 0.8567 0.053 Uiso 1 1 calc R
C41 C 0.9946(7) 0.7966(4) 0.8983(3) 0.036(2) Uani 1 1 d .
H41A H 1.0382 0.8232 0.8933 0.043 Uiso 1 1 calc R
C42 C 0.8670(6) 0.7685(3) 0.9345(3) 0.0241(18) Uani 1 1 d .
H42A H 0.8208 0.7748 0.9556 0.029 Uiso 1 1 calc R
C43 C 0.3021(5) 0.5342(3) 0.7921(3) 0.0171(16) Uani 1 1 d .
H43A H 0.2356 0.5280 0.7781 0.020 Uiso 1 1 calc R
H43B H 0.3050 0.5351 0.8279 0.020 Uiso 1 1 calc R
C44 C 0.3641(5) 0.4915(3) 0.7775(3) 0.0165(16) Uani 1 1 d .
C45 C 0.4752(5) 0.4512(3) 0.7477(3) 0.0184(16) Uani 1 1 d .
C46 C 0.5543(6) 0.4371(3) 0.7251(3) 0.0254(19) Uani 1 1 d .
H46A H 0.5907 0.4619 0.7105 0.030 Uiso 1 1 calc R
C47 C 0.5758(7) 0.3852(4) 0.7255(3) 0.033(2) Uani 1 1 d .
H47A H 0.6274 0.3740 0.7097 0.040 Uiso 1 1 calc R
C48 C 0.5252(7) 0.3487(3) 0.7479(4) 0.036(2) Uani 1 1 d .
H48A H 0.5450 0.3137 0.7483 0.043 Uiso 1 1 calc R
C49 C 0.4450(7) 0.3622(3) 0.7701(3) 0.031(2) Uani 1 1 d .
H49A H 0.4091 0.3374 0.7851 0.037 Uiso 1 1 calc R
C50 C 0.4225(6) 0.4147(3) 0.7685(3) 0.0224(18) Uani 1 1 d .
C51 C 0.2816(6) 0.4191(3) 0.8163(3) 0.027(2) Uani 1 1 d .
H51A H 0.2583 0.4469 0.8362 0.033 Uiso 1 1 calc R
H51B H 0.3151 0.3935 0.8387 0.033 Uiso 1 1 calc R
C52 C 0.1976(6) 0.3931(3) 0.7872(3) 0.0265(19) Uani 1 1 d .
C53 C 0.1538(10) 0.4119(5) 0.7447(5) 0.070(4) Uani 1 1 d .
H53A H 0.1775 0.4422 0.7312 0.084 Uiso 1 1 calc R
C54 C 0.0730(10) 0.3867(6) 0.7201(6) 0.081(5) Uani 1 1 d .
H54A H 0.0417 0.3993 0.6902 0.097 Uiso 1 1 calc R
C55 C 0.0429(7) 0.3437(5) 0.7414(4) 0.049(3) Uani 1 1 d .
H55A H -0.0140 0.3279 0.7270 0.059 Uiso 1 1 calc R
C56 C 0.1656(9) 0.3471(4) 0.8023(4) 0.053(3) Uani 1 1 d .
H56A H 0.2003 0.3310 0.8297 0.064 Uiso 1 1 calc R
C57 C 0.2970(5) 0.5917(3) 0.7224(3) 0.0187(17) Uani 1 1 d .
H57A H 0.2983 0.5585 0.7048 0.022 Uiso 1 1 calc R
H57B H 0.2306 0.6037 0.7197 0.022 Uiso 1 1 calc R
C58 C 0.3550(5) 0.6299(3) 0.7013(3) 0.0190(17) Uani 1 1 d .
C59 C 0.4699(6) 0.6826(3) 0.6911(3) 0.0199(17) Uani 1 1 d .
C60 C 0.5514(6) 0.7128(3) 0.6960(3) 0.0234(18) Uani 1 1 d .
H60A H 0.5917 0.7153 0.7259 0.028 Uiso 1 1 calc R
C61 C 0.5710(7) 0.7389(3) 0.6549(4) 0.033(2) Uani 1 1 d .
H61A H 0.6264 0.7597 0.6567 0.040 Uiso 1 1 calc R
C62 C 0.5116(8) 0.7356(4) 0.6112(4) 0.039(2) Uani 1 1 d .
H62A H 0.5293 0.7531 0.5838 0.047 Uiso 1 1 calc R
C63 C 0.4264(7) 0.7074(3) 0.6061(3) 0.032(2) Uani 1 1 d .
H63A H 0.3847 0.7059 0.5766 0.038 Uiso 1 1 calc R
C64 C 0.4084(6) 0.6819(3) 0.6479(3) 0.0219(17) Uani 1 1 d .
C65 C 0.2615(6) 0.6288(3) 0.6185(3) 0.0239(18) Uani 1 1 d .
H65A H 0.2389 0.5952 0.6295 0.029 Uiso 1 1 calc R
H65B H 0.2901 0.6224 0.5884 0.029 Uiso 1 1 calc R
C66 C 0.1769(6) 0.6645(3) 0.6067(3) 0.0254(19) Uani 1 1 d .
C67 C 0.1412(7) 0.6720(4) 0.5586(4) 0.038(2) Uani 1 1 d .
H67A H 0.1716 0.6574 0.5333 0.046 Uiso 1 1 calc R
C68 C 0.0598(8) 0.7014(4) 0.5483(4) 0.046(3) Uani 1 1 d .
H68A H 0.0343 0.7079 0.5156 0.055 Uiso 1 1 calc R
C69 C 0.0173(7) 0.7205(4) 0.5845(4) 0.042(3) Uani 1 1 d .
H69A H -0.0394 0.7397 0.5764 0.050 Uiso 1 1 calc R
C70 C 0.1303(8) 0.6859(5) 0.6420(4) 0.049(3) Uani 1 1 d .
H70A H 0.1556 0.6807 0.6749 0.059 Uiso 1 1 calc R
C71 C 0.3050(5) 0.6272(3) 0.8036(3) 0.0184(16) Uani 1 1 d .
H71A H 0.2389 0.6219 0.8100 0.022 Uiso 1 1 calc R
H71B H 0.3083 0.6603 0.7860 0.022 Uiso 1 1 calc R
C72 C 0.3701(5) 0.6287(3) 0.8504(3) 0.0160(16) Uani 1 1 d .
C73 C 0.4913(5) 0.6135(3) 0.9041(3) 0.0162(16) Uani 1 1 d .
C74 C 0.5751(5) 0.5971(3) 0.9307(3) 0.0194(17) Uani 1 1 d .
H74A H 0.6143 0.5721 0.9182 0.023 Uiso 1 1 calc R
C75 C 0.5996(6) 0.6184(3) 0.9763(3) 0.0222(17) Uani 1 1 d .
H75A H 0.6572 0.6083 0.9950 0.027 Uiso 1 1 calc R
C76 C 0.5410(6) 0.6545(3) 0.9952(3) 0.0245(18) Uani 1 1 d .
H76A H 0.5602 0.6686 1.0265 0.029 Uiso 1 1 calc R
C77 C 0.4576(6) 0.6702(3) 0.9702(3) 0.0203(17) Uani 1 1 d .
H77A H 0.4177 0.6942 0.9835 0.024 Uiso 1 1 calc R
C78 C 0.4335(5) 0.6495(3) 0.9243(3) 0.0187(16) Uani 1 1 d .
C79 C 0.2780(6) 0.6930(3) 0.8940(3) 0.0230(17) Uani 1 1 d .
H79A H 0.2424 0.7001 0.8617 0.028 Uiso 1 1 calc R
H79B H 0.3041 0.7261 0.9076 0.028 Uiso 1 1 calc R
C80 C 0.2117(6) 0.6707(3) 0.9268(3) 0.0244(18) Uani 1 1 d .
C81 C 0.1868(8) 0.6964(4) 0.9660(4) 0.041(3) Uani 1 1 d .
H81A H 0.2095 0.7304 0.9733 0.050 Uiso 1 1 calc R
C82 C 0.1274(10) 0.6721(4) 0.9954(5) 0.058(4) Uani 1 1 d .
H82A H 0.1102 0.6889 1.0233 0.070 Uiso 1 1 calc R
C83 C 0.0947(8) 0.6234(4) 0.9830(4) 0.042(2) Uani 1 1 d .
H83A H 0.0532 0.6072 1.0025 0.050 Uiso 1 1 calc R
C84 C 0.1758(6) 0.6220(3) 0.9175(3) 0.0263(19) Uani 1 1 d .
H84A H 0.1923 0.6042 0.8900 0.032 Uiso 1 1 calc R
C85 C 1.1265(9) 0.5422(4) 0.4666(4) 0.045(3) Uani 1 1 d .
C86 C 1.2154(8) 0.5145(4) 0.4693(5) 0.053(3) Uani 1 1 d .
H86A H 1.2181 0.4883 0.4948 0.080 Uiso 1 1 calc R
H86B H 1.2680 0.5388 0.4768 0.080 Uiso 1 1 calc R
H86C H 1.2202 0.4978 0.4381 0.080 Uiso 1 1 calc R
C87 C 0.7839(9) 0.4507(5) 0.6614(4) 0.055(3) Uani 1 1 d .
C88 C 0.8309(11) 0.3993(7) 0.6573(7) 0.092(5) Uani 1 1 d U
H88A H 0.8953 0.4046 0.6493 0.138 Uiso 1 1 calc R
H88B H 0.7945 0.3789 0.6317 0.138 Uiso 1 1 calc R
H88C H 0.8338 0.3809 0.6882 0.138 Uiso 1 1 calc R
C89 C 0.6482(9) 0.6078(4) 0.4386(4) 0.048(3) Uani 1 1 d .
C90 C 0.5644(9) 0.5881(4) 0.4125(6) 0.068(4) Uani 1 1 d .
H90A H 0.5466 0.6092 0.3836 0.101 Uiso 1 1 calc R
H90B H 0.5134 0.5890 0.4330 0.101 Uiso 1 1 calc R
H90C H 0.5748 0.5524 0.4029 0.101 Uiso 1 1 calc R
C91 C 0.7420(7) 0.7850(4) 0.8038(4) 0.041(3) Uani 1 1 d .
C92 C 0.7174(9) 0.8293(4) 0.8323(4) 0.047(3) Uani 1 1 d .
H92A H 0.7749 0.8488 0.8437 0.071 Uiso 1 1 calc R
H92B H 0.6880 0.8170 0.8601 0.071 Uiso 1 1 calc R
H92C H 0.6729 0.8516 0.8120 0.071 Uiso 1 1 calc R
C93 C 0.3260(7) 0.5219(4) 0.9508(3) 0.033(2) Uani 1 1 d .
C94 C 0.3646(9) 0.5386(5) 0.9978(4) 0.052(3) Uani 1 1 d .
H94A H 0.3183 0.5604 1.0114 0.079 Uiso 1 1 calc R
H94B H 0.4224 0.5585 0.9957 0.079 Uiso 1 1 calc R
H94C H 0.3795 0.5085 1.0187 0.079 Uiso 1 1 calc R
Cl1 Cl 0.30671(15) 0.66150(8) 0.46168(8) 0.0299(5) Uani 1 1 d .
Cl2 Cl 0.20979(16) 0.73366(9) 0.26121(9) 0.0401(6) Uani 1 1 d .
Cl3 Cl 0.23658(14) 0.28464(7) 0.93011(7) 0.0241(4) Uani 1 1 d .
Cl4 Cl 0.02793(18) 0.57800(15) 0.78424(12) 0.0647(9) Uani 1 1 d .
Cl5 Cl 0.19777(17) 0.47428(8) 0.62896(10) 0.0409(6) Uani 1 1 d .
Cl6 Cl 0.15990(14) 0.46971(8) 0.04446(8) 0.0314(5) Uani 1 1 d .
O1 O 0.2123(5) 0.6760(3) 0.4423(3) 0.053(2) Uani 1 1 d .
O2 O 0.3042(6) 0.6255(3) 0.5002(3) 0.054(2) Uani 1 1 d .
O3 O 0.3571(5) 0.7074(3) 0.4806(3) 0.0502(19) Uani 1 1 d .
O4 O 0.3536(6) 0.6379(3) 0.4252(3) 0.057(2) Uani 1 1 d .
O5 O 0.1414(8) 0.7719(4) 0.2698(5) 0.103(4) Uani 1 1 d .
O6 O 0.2870(8) 0.7571(5) 0.2442(7) 0.127(5) Uani 1 1 d .
O7 O 0.2554(15) 0.7186(7) 0.3035(6) 0.187(9) Uani 1 1 d .
O8 O 0.1690(9) 0.6944(5) 0.2346(5) 0.117(5) Uani 1 1 d .
O9 O 0.2910(6) 0.3274(3) 0.9146(3) 0.055(2) Uani 1 1 d .
O10 O 0.2996(5) 0.2473(3) 0.9551(3) 0.0429(17) Uani 1 1 d .
O11 O 0.1714(5) 0.3028(3) 0.9611(2) 0.0481(18) Uani 1 1 d .
O12 O 0.1852(4) 0.2614(2) 0.8879(2) 0.0291(14) Uani 1 1 d .
O13 O 0.0944(6) 0.5521(5) 0.8196(3) 0.086(3) Uani 1 1 d .
O14 O -0.0307(11) 0.6140(10) 0.8011(8) 0.221(13) Uani 1 1 d .
O15 O -0.0385(7) 0.5414(6) 0.7596(4) 0.105(4) Uani 1 1 d .
O16 O 0.0757(6) 0.5978(5) 0.7458(4) 0.085(3) Uani 1 1 d .
O17 O 0.1606(6) 0.5076(3) 0.6615(4) 0.072(3) Uani 1 1 d .
O18 O 0.2886(6) 0.4581(3) 0.6525(4) 0.070(3) Uani 1 1 d .
O19 O 0.1379(6) 0.4299(3) 0.6192(3) 0.057(2) Uani 1 1 d .
O20 O 0.2061(9) 0.5010(4) 0.5857(4) 0.085(3) Uani 1 1 d .
O21 O 0.2397(5) 0.4827(3) 0.0785(3) 0.0484(19) Uani 1 1 d .
O22 O 0.1011(5) 0.4367(3) 0.0682(4) 0.067(3) Uani 1 1 d .
O23 O 0.1090(6) 0.5147(3) 0.0284(3) 0.060(2) Uani 1 1 d .
O24 O 0.1919(6) 0.4434(4) 0.0044(3) 0.067(2) Uani 1 1 d .
O25 O -0.0765(7) 0.7013(5) 0.7273(6) 0.131(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 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag 0.1306 4.2820 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Gd Gd -8.8380 11.9157 '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
N5 Gd1 N15 73.9(2) . .
N5 Gd1 N2 100.1(2) . .
N15 Gd1 N2 173.5(2) . .
N5 Gd1 N18 174.1(2) . .
N15 Gd1 N18 100.5(2) . .
N2 Gd1 N18 85.5(2) . .
N5 Gd1 N8 102.9(2) . .
N15 Gd1 N8 84.1(2) . .
N2 Gd1 N8 100.0(2) . .
N18 Gd1 N8 74.1(2) . .
N5 Gd1 N12 84.6(2) . .
N15 Gd1 N12 102.6(2) . .
N2 Gd1 N12 74.0(2) . .
N18 Gd1 N12 98.8(2) . .
N8 Gd1 N12 171.2(2) . .
N5 Gd1 N1 63.2(2) . .
N15 Gd1 N1 115.3(2) . .
N2 Gd1 N1 62.88(19) . .
N18 Gd1 N1 118.64(19) . .
N8 Gd1 N1 62.97(19) . .
N12 Gd1 N1 117.94(19) . .
N5 Gd1 N11 115.4(2) . .
N15 Gd1 N11 63.0(2) . .
N2 Gd1 N11 118.7(2) . .
N18 Gd1 N11 62.6(2) . .
N8 Gd1 N11 116.9(2) . .
N12 Gd1 N11 62.50(19) . .
N1 Gd1 N11 178.29(19) . .
N4 Ag1 N20 167.3(3) . 1_655
N7 Ag2 N10 127.1(3) . 4_575
N7 Ag2 N21 97.4(3) . .
N10 Ag2 N21 111.5(3) 4_575 .
N17 Ag3 O25 102.8(4) . .
N17 Ag3 N14 163.6(4) . 2_556
O25 Ag3 N14 91.4(4) . 2_556
C1 N1 C15 109.5(6) . .
C1 N1 C29 109.8(6) . .
C15 N1 C29 109.6(6) . .
C1 N1 Gd1 109.4(4) . .
C15 N1 Gd1 108.6(4) . .
C29 N1 Gd1 110.0(4) . .
C2 N2 C3 104.4(6) . .
C2 N2 Gd1 115.4(5) . .
C3 N2 Gd1 133.2(5) . .
C2 N3 C8 106.7(6) . .
C2 N3 C9 126.5(7) . .
C8 N3 C9 126.3(6) . .
C13 N4 C14 118.8(8) . .
C13 N4 Ag1 123.3(6) . .
C14 N4 Ag1 116.9(6) . .
C16 N5 C17 104.5(6) . .
C16 N5 Gd1 115.0(5) . .
C17 N5 Gd1 133.2(5) . .
C16 N6 C22 106.1(6) . .
C16 N6 C23 127.8(7) . .
C22 N6 C23 125.5(6) . .
C28 N7 C27 118.6(8) . .
C28 N7 Ag2 120.8(6) . .
C27 N7 Ag2 120.4(6) . .
C30 N8 C31 106.0(6) . .
C30 N8 Gd1 113.0(5) . .
C31 N8 Gd1 128.8(5) . .
C30 N9 C36 106.4(6) . .
C30 N9 C37 127.7(7) . .
C36 N9 C37 125.9(6) . .
C42 N10 C41 117.6(8) . .
C42 N10 Ag2 120.2(6) . 4_576
C41 N10 Ag2 122.2(6) . 4_576
C71 N11 C43 110.3(6) . .
C71 N11 C57 109.9(6) . .
C43 N11 C57 110.2(6) . .
C71 N11 Gd1 108.8(4) . .
C43 N11 Gd1 109.8(4) . .
C57 N11 Gd1 107.8(4) . .
C44 N12 C45 104.6(6) . .
C44 N12 Gd1 114.2(5) . .
C45 N12 Gd1 129.6(5) . .
C44 N13 C50 105.8(7) . .
C44 N13 C51 127.9(7) . .
C50 N13 C51 125.4(7) . .
C55 N14 C56 117.9(9) . .
C55 N14 Ag3 118.7(7) . 2_546
C56 N14 Ag3 122.2(7) . 2_546
C58 N15 C59 104.2(6) . .
C58 N15 Gd1 112.2(5) . .
C59 N15 Gd1 130.0(5) . .
C58 N16 C64 107.6(7) . .
C58 N16 C65 125.4(7) . .
C64 N16 C65 125.9(7) . .
C69 N17 C70 115.8(9) . .
C69 N17 Ag3 117.7(7) . .
C70 N17 Ag3 125.6(8) . .
C72 N18 C73 104.8(6) . .
C72 N18 Gd1 114.5(5) . .
C73 N18 Gd1 131.6(5) . .
C72 N19 C78 107.1(6) . .
C72 N19 C79 128.8(6) . .
C78 N19 C79 124.0(6) . .
C83 N20 C84 118.0(8) . .
C83 N20 Ag1 124.1(6) . 1_455
C84 N20 Ag1 117.9(6) . 1_455
C85 N21 Ag2 172.3(10) . .
N1 C1 C2 108.2(6) . .
N1 C1 H1A 110.1 . .
C2 C1 H1A 110.1 . .
N1 C1 H1B 110.1 . .
C2 C1 H1B 110.1 . .
H1A C1 H1B 108.4 . .
N2 C2 N3 113.1(7) . .
N2 C2 C1 122.0(6) . .
N3 C2 C1 124.9(7) . .
N2 C3 C8 109.9(7) . .
N2 C3 C4 129.7(7) . .
C8 C3 C4 120.4(7) . .
C5 C4 C3 116.4(8) . .
C5 C4 H4A 121.8 . .
C3 C4 H4A 121.8 . .
C6 C5 C4 121.8(9) . .
C6 C5 H5A 119.1 . .
C4 C5 H5A 119.1 . .
C7 C6 C5 123.0(8) . .
C7 C6 H6A 118.5 . .
C5 C6 H6A 118.5 . .
C6 C7 C8 115.8(8) . .
C6 C7 H7A 122.1 . .
C8 C7 H7A 122.1 . .
N3 C8 C3 105.9(7) . .
N3 C8 C7 131.5(8) . .
C3 C8 C7 122.6(8) . .
N3 C9 C10 114.5(7) . .
N3 C9 H9A 108.6 . .
C10 C9 H9A 108.6 . .
N3 C9 H9B 108.6 . .
C10 C9 H9B 108.6 . .
H9A C9 H9B 107.6 . .
C11 C10 C14 117.1(8) . .
C11 C10 C9 122.1(8) . .
C14 C10 C9 120.8(7) . .
C10 C11 C12 120.4(9) . .
C10 C11 H11A 119.8 . .
C12 C11 H11A 119.8 . .
C13 C12 C11 119.2(9) . .
C13 C12 H12A 120.4 . .
C11 C12 H12A 120.4 . .
N4 C13 C12 121.1(8) . .
N4 C13 H13A 119.4 . .
C12 C13 H13A 119.4 . .
N4 C14 C10 123.2(8) . .
N4 C14 H14A 118.4 . .
C10 C14 H14A 118.4 . .
N1 C15 C16 108.0(6) . .
N1 C15 H15A 110.1 . .
C16 C15 H15A 110.1 . .
N1 C15 H15B 110.1 . .
C16 C15 H15B 110.1 . .
H15A C15 H15B 108.4 . .
N5 C16 N6 114.0(7) . .
N5 C16 C15 122.0(7) . .
N6 C16 C15 124.0(7) . .
N5 C17 C22 109.6(7) . .
N5 C17 C18 131.0(8) . .
C22 C17 C18 119.4(7) . .
C19 C18 C17 117.8(8) . .
C19 C18 H18A 121.1 . .
C17 C18 H18A 121.1 . .
C18 C19 C20 121.2(8) . .
C18 C19 H19A 119.4 . .
C20 C19 H19A 119.4 . .
C21 C20 C19 122.7(8) . .
C21 C20 H20A 118.7 . .
C19 C20 H20A 118.7 . .
C20 C21 C22 115.7(8) . .
C20 C21 H21A 122.2 . .
C22 C21 H21A 122.2 . .
C17 C22 N6 105.8(7) . .
C17 C22 C21 123.1(7) . .
N6 C22 C21 131.0(8) . .
N6 C23 C24 112.6(7) . .
N6 C23 H23A 109.1 . .
C24 C23 H23A 109.1 . .
N6 C23 H23B 109.1 . .
C24 C23 H23B 109.1 . .
H23A C23 H23B 107.8 . .
C28 C24 C25 117.2(8) . .
C28 C24 C23 121.0(7) . .
C25 C24 C23 121.8(8) . .
C26 C25 C24 119.9(9) . .
C26 C25 H25A 120.1 . .
C24 C25 H25A 120.1 . .
C25 C26 C27 118.8(9) . .
C25 C26 H26A 120.6 . .
C27 C26 H26A 120.6 . .
N7 C27 C26 122.2(9) . .
N7 C27 H27A 118.9 . .
C26 C27 H27A 118.9 . .
N7 C28 C24 123.2(8) . .
N7 C28 H28A 118.4 . .
C24 C28 H28A 118.4 . .
C30 C29 N1 108.9(6) . .
C30 C29 H29A 109.9 . .
N1 C29 H29A 109.9 . .
C30 C29 H29B 109.9 . .
N1 C29 H29B 109.9 . .
H29A C29 H29B 108.3 . .
N8 C30 N9 113.1(7) . .
N8 C30 C29 123.4(6) . .
N9 C30 C29 123.4(6) . .
N8 C31 C32 131.0(7) . .
N8 C31 C36 108.8(6) . .
C32 C31 C36 120.1(7) . .
C33 C32 C31 116.9(8) . .
C33 C32 H32A 121.5 . .
C31 C32 H32A 121.5 . .
C32 C33 C34 121.8(8) . .
C32 C33 H33A 119.1 . .
C34 C33 H33A 119.1 . .
C33 C34 C35 122.6(8) . .
C33 C34 H34A 118.7 . .
C35 C34 H34A 118.7 . .
C36 C35 C34 115.2(8) . .
C36 C35 H35A 122.4 . .
C34 C35 H35A 122.4 . .
C35 C36 N9 131.2(7) . .
C35 C36 C31 123.0(7) . .
N9 C36 C31 105.6(6) . .
N9 C37 C38 112.2(6) . .
N9 C37 H37A 109.2 . .
C38 C37 H37A 109.2 . .
N9 C37 H37B 109.2 . .
C38 C37 H37B 109.2 . .
H37A C37 H37B 107.9 . .
C42 C38 C39 117.3(8) . .
C42 C38 C37 121.0(8) . .
C39 C38 C37 121.6(8) . .
C38 C39 C40 117.6(9) . .
C38 C39 H39A 121.2 . .
C40 C39 H39A 121.2 . .
C41 C40 C39 120.8(10) . .
C41 C40 H40A 119.6 . .
C39 C40 H40A 119.6 . .
C40 C41 N10 122.8(9) . .
C40 C41 H41A 118.6 . .
N10 C41 H41A 118.6 . .
N10 C42 C38 123.9(8) . .
N10 C42 H42A 118.1 . .
C38 C42 H42A 118.1 . .
N11 C43 C44 109.1(6) . .
N11 C43 H43A 109.9 . .
C44 C43 H43A 109.9 . .
N11 C43 H43B 109.9 . .
C44 C43 H43B 109.9 . .
H43A C43 H43B 108.3 . .
N12 C44 N13 114.7(7) . .
N12 C44 C43 122.0(7) . .
N13 C44 C43 123.3(7) . .
C50 C45 C46 121.3(7) . .
C50 C45 N12 108.5(7) . .
C46 C45 N12 130.2(7) . .
C47 C46 C45 116.1(9) . .
C47 C46 H46A 121.9 . .
C45 C46 H46A 121.9 . .
C46 C47 C48 122.7(9) . .
C46 C47 H47A 118.6 . .
C48 C47 H47A 118.6 . .
C47 C48 C49 121.8(8) . .
C47 C48 H48A 119.1 . .
C49 C48 H48A 119.1 . .
C50 C49 C48 115.0(8) . .
C50 C49 H49A 122.5 . .
C48 C49 H49A 122.5 . .
C45 C50 C49 123.1(8) . .
C45 C50 N13 106.3(7) . .
C49 C50 N13 130.7(8) . .
N13 C51 C52 113.9(7) . .
N13 C51 H51A 108.8 . .
C52 C51 H51A 108.8 . .
N13 C51 H51B 108.8 . .
C52 C51 H51B 108.8 . .
H51A C51 H51B 107.7 . .
C56 C52 C53 116.7(9) . .
C56 C52 C51 119.8(8) . .
C53 C52 C51 123.5(8) . .
C52 C53 C54 120.7(11) . .
C52 C53 H53A 119.7 . .
C54 C53 H53A 119.7 . .
C55 C54 C53 116.6(11) . .
C55 C54 H54A 121.7 . .
C53 C54 H54A 121.7 . .
N14 C55 C54 124.1(10) . .
N14 C55 H55A 118.0 . .
C54 C55 H55A 118.0 . .
C52 C56 N14 123.5(9) . .
C52 C56 H56A 118.2 . .
N14 C56 H56A 118.2 . .
C58 C57 N11 108.9(6) . .
C58 C57 H57A 109.9 . .
N11 C57 H57A 109.9 . .
C58 C57 H57B 109.9 . .
N11 C57 H57B 109.9 . .
H57A C57 H57B 108.3 . .
N15 C58 N16 112.7(7) . .
N15 C58 C57 123.2(7) . .
N16 C58 C57 124.1(7) . .
C60 C59 C64 121.0(7) . .
C60 C59 N15 129.3(7) . .
C64 C59 N15 109.7(7) . .
C61 C60 C59 116.6(8) . .
C61 C60 H60A 121.7 . .
C59 C60 H60A 121.7 . .
C60 C61 C62 121.7(9) . .
C60 C61 H61A 119.2 . .
C62 C61 H61A 119.2 . .
C61 C62 C63 122.6(9) . .
C61 C62 H62A 118.7 . .
C63 C62 H62A 118.7 . .
C64 C63 C62 114.3(9) . .
C64 C63 H63A 122.8 . .
C62 C63 H63A 122.9 . .
C63 C64 N16 130.5(8) . .
C63 C64 C59 123.5(8) . .
N16 C64 C59 105.8(7) . .
N16 C65 C66 114.6(7) . .
N16 C65 H65A 108.6 . .
C66 C65 H65A 108.6 . .
N16 C65 H65B 108.6 . .
C66 C65 H65B 108.6 . .
H65A C65 H65B 107.6 . .
C70 C66 C67 119.0(8) . .
C70 C66 C65 122.3(8) . .
C67 C66 C65 118.4(8) . .
C66 C67 C68 118.1(10) . .
C66 C67 H67A 121.0 . .
C68 C67 H67A 121.0 . .
C69 C68 C67 119.7(9) . .
C69 C68 H68A 120.1 . .
C67 C68 H68A 120.1 . .
C68 C69 N17 124.3(9) . .
C68 C69 H69A 117.9 . .
N17 C69 H69A 117.9 . .
N17 C70 C66 123.1(10) . .
N17 C70 H70A 118.4 . .
C66 C70 H70A 118.4 . .
N11 C71 C72 107.8(6) . .
N11 C71 H71A 110.1 . .
C72 C71 H71A 110.1 . .
N11 C71 H71B 110.1 . .
C72 C71 H71B 110.1 . .
H71A C71 H71B 108.5 . .
N19 C72 N18 113.5(6) . .
N19 C72 C71 124.5(7) . .
N18 C72 C71 122.0(7) . .
C74 C73 N18 131.0(7) . .
C74 C73 C78 119.7(7) . .
N18 C73 C78 109.3(6) . .
C75 C74 C73 117.6(8) . .
C75 C74 H74A 121.2 . .
C73 C74 H74A 121.2 . .
C74 C75 C76 121.2(7) . .
C74 C75 H75A 119.4 . .
C76 C75 H75A 119.4 . .
C77 C76 C75 122.1(7) . .
C77 C76 H76A 119.0 . .
C75 C76 H76A 119.0 . .
C76 C77 C78 116.9(8) . .
C76 C77 H77A 121.5 . .
C78 C77 H77A 121.5 . .
C77 C78 N19 132.4(7) . .
C77 C78 C73 122.4(7) . .
N19 C78 C73 105.2(7) . .
N19 C79 C80 111.2(6) . .
N19 C79 H79A 109.4 . .
C80 C79 H79A 109.4 . .
N19 C79 H79B 109.4 . .
C80 C79 H79B 109.4 . .
H79A C79 H79B 108.0 . .
C81 C80 C84 118.0(8) . .
C81 C80 C79 123.0(8) . .
C84 C80 C79 119.0(8) . .
C80 C81 C82 119.2(9) . .
C80 C81 H81A 120.4 . .
C82 C81 H81A 120.4 . .
C83 C82 C81 118.5(9) . .
C83 C82 H82A 120.8 . .
C81 C82 H82A 120.8 . .
N20 C83 C82 122.7(9) . .
N20 C83 H83A 118.6 . .
C82 C83 H83A 118.6 . .
N20 C84 C80 123.6(8) . .
N20 C84 H84A 118.2 . .
C80 C84 H84A 118.2 . .
N21 C85 C86 178.4(13) . .
C85 C86 H86A 109.5 . .
C85 C86 H86B 109.5 . .
H86A C86 H86B 109.5 . .
C85 C86 H86C 109.5 . .
H86A C86 H86C 109.5 . .
H86B C86 H86C 109.5 . .
N22 C87 C88 175.1(16) . .
C87 C88 H88A 109.5 . .
C87 C88 H88B 109.5 . .
H88A C88 H88B 109.5 . .
C87 C88 H88C 109.5 . .
H88A C88 H88C 109.5 . .
H88B C88 H88C 109.5 . .
N23 C89 C90 178.7(15) . .
C89 C90 H90A 109.5 . .
C89 C90 H90B 109.5 . .
H90A C90 H90B 109.5 . .
C89 C90 H90C 109.5 . .
H90A C90 H90C 109.5 . .
H90B C90 H90C 109.5 . .
N24 C91 C92 178.2(11) . .
C91 C92 H92A 109.5 . .
C91 C92 H92B 109.5 . .
H92A C92 H92B 109.5 . .
C91 C92 H92C 109.5 . .
H92A C92 H92C 109.5 . .
H92B C92 H92C 109.5 . .
N25 C93 C94 178.8(12) . .
C93 C94 H94A 109.5 . .
C93 C94 H94B 109.5 . .
H94A C94 H94B 109.5 . .
C93 C94 H94C 109.5 . .
H94A C94 H94C 109.5 . .
H94B C94 H94C 109.5 . .
O2 Cl1 O4 108.4(5) . .
O2 Cl1 O1 110.0(5) . .
O4 Cl1 O1 110.3(5) . .
O2 Cl1 O3 108.8(5) . .
O4 Cl1 O3 110.8(5) . .
O1 Cl1 O3 108.6(5) . .
O7 Cl2 O8 113.2(11) . .
O7 Cl2 O6 96.4(12) . .
O8 Cl2 O6 116.5(9) . .
O7 Cl2 O5 108.7(10) . .
O8 Cl2 O5 111.2(8) . .
O6 Cl2 O5 110.0(8) . .
O11 Cl3 O12 109.3(4) . .
O11 Cl3 O10 110.1(4) . .
O12 Cl3 O10 109.6(4) . .
O11 Cl3 O9 110.1(5) . .
O12 Cl3 O9 108.2(4) . .
O10 Cl3 O9 109.5(5) . .
O14 Cl4 O13 117.3(11) . .
O14 Cl4 O16 112.3(14) . .
O13 Cl4 O16 110.0(6) . .
O14 Cl4 O15 102.6(10) . .
O13 Cl4 O15 110.5(8) . .
O16 Cl4 O15 102.9(7) . .
O17 Cl5 O20 109.3(7) . .
O17 Cl5 O19 110.4(6) . .
O20 Cl5 O19 110.2(6) . .
O17 Cl5 O18 106.1(6) . .
O20 Cl5 O18 111.3(7) . .
O19 Cl5 O18 109.4(5) . .
O22 Cl6 O23 109.5(5) . .
O22 Cl6 O21 107.6(5) . .
O23 Cl6 O21 110.3(5) . .
O22 Cl6 O24 110.1(6) . .
O23 Cl6 O24 110.4(5) . .
O21 Cl6 O24 108.9(5) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Gd1 N5 2.507(6) .
Gd1 N15 2.509(6) .
Gd1 N2 2.511(6) .
Gd1 N18 2.509(6) .
Gd1 N8 2.525(6) .
Gd1 N12 2.538(6) .
Gd1 N1 2.648(6) .
Gd1 N11 2.656(6) .
Ag1 N4 2.158(7) .
Ag1 N20 2.166(7) 1_655
Ag2 N7 2.307(7) .
Ag2 N10 2.316(7) 4_575
Ag2 N21 2.401(10) .
Ag3 N17 2.167(8) .
Ag3 O25 2.191(18) .
Ag3 N14 2.223(8) 2_556
N1 C1 1.470(9) .
N1 C15 1.479(10) .
N1 C29 1.487(9) .
N2 C2 1.336(10) .
N2 C3 1.383(10) .
N3 C2 1.345(10) .
N3 C8 1.382(11) .
N3 C9 1.474(10) .
N4 C13 1.332(12) .
N4 C14 1.341(11) .
N5 C16 1.326(10) .
N5 C17 1.385(10) .
N6 C16 1.340(10) .
N6 C22 1.391(10) .
N6 C23 1.476(10) .
N7 C28 1.329(11) .
N7 C27 1.334(12) .
N8 C30 1.328(10) .
N8 C31 1.387(10) .
N9 C30 1.361(10) .
N9 C36 1.402(10) .
N9 C37 1.450(10) .
N10 C42 1.331(11) .
N10 C41 1.366(13) .
N10 Ag2 2.316(7) 4_576
N11 C71 1.477(10) .
N11 C43 1.483(10) .
N11 C57 1.492(10) .
N12 C44 1.300(10) .
N12 C45 1.415(10) .
N13 C44 1.338(10) .
N13 C50 1.396(11) .
N13 C51 1.472(11) .
N14 C55 1.292(14) .
N14 C56 1.361(13) .
N14 Ag3 2.223(8) 2_546
N15 C58 1.348(10) .
N15 C59 1.410(10) .
N16 C58 1.350(10) .
N16 C64 1.388(11) .
N16 C65 1.472(10) .
N17 C69 1.354(14) .
N17 C70 1.362(13) .
N18 C72 1.338(10) .
N18 C73 1.396(10) .
N19 C72 1.336(10) .
N19 C78 1.402(10) .
N19 C79 1.463(10) .
N20 C83 1.320(13) .
N20 C84 1.342(12) .
N20 Ag1 2.166(7) 1_455
N21 C85 1.131(14) .
N22 C87 1.119(16) .
N23 C89 1.160(16) .
N24 C91 1.140(15) .
N25 C93 1.150(13) .
C1 C2 1.495(11) .
C1 H1A 0.9900 .
C1 H1B 0.9900 .
C3 C8 1.389(11) .
C3 C4 1.418(12) .
C4 C5 1.400(12) .
C4 H4A 0.9500 .
C5 C6 1.385(13) .
C5 H5A 0.9500 .
C6 C7 1.371(14) .
C6 H6A 0.9500 .
C7 C8 1.418(11) .
C7 H7A 0.9500 .
C9 C10 1.520(11) .
C9 H9A 0.9900 .
C9 H9B 0.9900 .
C10 C11 1.342(13) .
C10 C14 1.397(12) .
C11 C12 1.398(14) .
C11 H11A 0.9500 .
C12 C13 1.372(14) .
C12 H12A 0.9500 .
C13 H13A 0.9500 .
C14 H14A 0.9500 .
C15 C16 1.511(11) .
C15 H15A 0.9900 .
C15 H15B 0.9900 .
C17 C22 1.393(12) .
C17 C18 1.402(11) .
C18 C19 1.383(12) .
C18 H18A 0.9500 .
C19 C20 1.391(14) .
C19 H19A 0.9500 .
C20 C21 1.371(13) .
C20 H20A 0.9500 .
C21 C22 1.403(12) .
C21 H21A 0.9500 .
C23 C24 1.509(12) .
C23 H23A 0.9900 .
C23 H23B 0.9900 .
C24 C28 1.382(12) .
C24 C25 1.390(13) .
C25 C26 1.368(14) .
C25 H25A 0.9500 .
C26 C27 1.379(14) .
C26 H26A 0.9500 .
C27 H27A 0.9500 .
C28 H28A 0.9500 .
C29 C30 1.473(11) .
C29 H29A 0.9900 .
C29 H29B 0.9900 .
C31 C32 1.396(11) .
C31 C36 1.418(11) .
C32 C33 1.384(12) .
C32 H32A 0.9500 .
C33 C34 1.392(13) .
C33 H33A 0.9500 .
C34 C35 1.395(13) .
C34 H34A 0.9500 .
C35 C36 1.383(12) .
C35 H35A 0.9500 .
C37 C38 1.522(11) .
C37 H37A 0.9900 .
C37 H37B 0.9900 .
C38 C42 1.391(12) .
C38 C39 1.404(13) .
C39 C40 1.413(15) .
C39 H39A 0.9500 .
C40 C41 1.317(15) .
C40 H40A 0.9500 .
C41 H41A 0.9500 .
C42 H42A 0.9500 .
C43 C44 1.503(11) .
C43 H43A 0.9900 .
C43 H43B 0.9900 .
C45 C50 1.381(12) .
C45 C46 1.407(12) .
C46 C47 1.378(13) .
C46 H46A 0.9500 .
C47 C48 1.383(14) .
C47 H47A 0.9500 .
C48 C49 1.413(14) .
C48 H48A 0.9500 .
C49 C50 1.394(12) .
C49 H49A 0.9500 .
C51 C52 1.514(12) .
C51 H51A 0.9900 .
C51 H51B 0.9900 .
C52 C56 1.361(13) .
C52 C53 1.353(15) .
C53 C54 1.419(16) .
C53 H53A 0.9500 .
C54 C55 1.357(17) .
C54 H54A 0.9500 .
C55 H55A 0.9500 .
C56 H56A 0.9500 .
C57 C58 1.461(12) .
C57 H57A 0.9900 .
C57 H57B 0.9900 .
C59 C60 1.392(12) .
C59 C64 1.393(12) .
C60 C61 1.387(13) .
C60 H60A 0.9500 .
C61 C62 1.391(15) .
C61 H61A 0.9500 .
C62 C63 1.409(14) .
C62 H62A 0.9500 .
C63 C64 1.391(12) .
C63 H63A 0.9500 .
C65 C66 1.521(11) .
C65 H65A 0.9900 .
C65 H65B 0.9900 .
C66 C70 1.372(14) .
C66 C67 1.384(13) .
C67 C68 1.386(14) .
C67 H67A 0.9500 .
C68 C69 1.338(16) .
C68 H68A 0.9500 .
C69 H69A 0.9500 .
C70 H70A 0.9500 .
C71 C72 1.499(10) .
C71 H71A 0.9900 .
C71 H71B 0.9900 .
C73 C74 1.389(11) .
C73 C78 1.408(11) .
C74 C75 1.385(12) .
C74 H74A 0.9500 .
C75 C76 1.401(12) .
C75 H75A 0.9500 .
C76 C77 1.358(12) .
C76 H76A 0.9500 .
C77 C78 1.386(11) .
C77 H77A 0.9500 .
C79 C80 1.511(12) .
C79 H79A 0.9900 .
C79 H79B 0.9900 .
C80 C81 1.366(13) .
C80 C84 1.371(12) .
C81 C82 1.400(15) .
C81 H81A 0.9500 .
C82 C83 1.372(15) .
C82 H82A 0.9500 .
C83 H83A 0.9500 .
C84 H84A 0.9500 .
C85 C86 1.448(16) .
C86 H86A 0.9800 .
C86 H86B 0.9800 .
C86 H86C 0.9800 .
C87 C88 1.501(19) .
C88 H88A 0.9800 .
C88 H88B 0.9800 .
C88 H88C 0.9800 .
C89 C90 1.410(18) .
C90 H90A 0.9800 .
C90 H90B 0.9800 .
C90 H90C 0.9800 .
C91 C92 1.462(16) .
C92 H92A 0.9800 .
C92 H92B 0.9800 .
C92 H92C 0.9800 .
C93 C94 1.419(14) .
C94 H94A 0.9800 .
C94 H94B 0.9800 .
C94 H94C 0.9800 .
Cl1 O2 1.424(7) .
Cl1 O4 1.424(8) .
Cl1 O1 1.432(7) .
Cl1 O3 1.452(7) .
Cl2 O7 1.327(13) .
Cl2 O8 1.344(10) .
Cl2 O6 1.391(12) .
Cl2 O5 1.430(9) .
Cl3 O11 1.427(7) .
Cl3 O12 1.435(6) .
Cl3 O10 1.436(6) .
Cl3 O9 1.448(7) .
Cl4 O14 1.375(16) .
Cl4 O13 1.440(10) .
Cl4 O16 1.436(11) .
Cl4 O15 1.448(12) .
Cl5 O17 1.402(9) .
Cl5 O20 1.408(10) .
Cl5 O19 1.435(8) .
Cl5 O18 1.435(8) .
Cl6 O22 1.418(8) .
Cl6 O23 1.414(7) .
Cl6 O21 1.423(7) .
Cl6 O24 1.430(8) .
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
N5 Gd1 N1 C1 -78.7(5) .
N15 Gd1 N1 C1 -133.1(5) .
N2 Gd1 N1 C1 39.9(4) .
N18 Gd1 N1 C1 107.6(5) .
N8 Gd1 N1 C1 158.6(5) .
N12 Gd1 N1 C1 -11.5(5) .
N11 Gd1 N1 C1 -116(6) .
N5 Gd1 N1 C15 40.6(4) .
N15 Gd1 N1 C15 -13.7(5) .
N2 Gd1 N1 C15 159.3(5) .
N18 Gd1 N1 C15 -133.0(4) .
N8 Gd1 N1 C15 -82.0(4) .
N12 Gd1 N1 C15 107.9(4) .
N11 Gd1 N1 C15 3(7) .
N5 Gd1 N1 C29 160.6(5) .
N15 Gd1 N1 C29 106.2(4) .
N2 Gd1 N1 C29 -80.8(5) .
N18 Gd1 N1 C29 -13.1(5) .
N8 Gd1 N1 C29 37.9(4) .
N12 Gd1 N1 C29 -132.2(4) .
N11 Gd1 N1 C29 123(6) .
N5 Gd1 N2 C2 19.7(5) .
N15 Gd1 N2 C2 43(2) .
N18 Gd1 N2 C2 -158.5(5) .
N8 Gd1 N2 C2 -85.5(5) .
N12 Gd1 N2 C2 101.0(5) .
N1 Gd1 N2 C2 -33.0(5) .
N11 Gd1 N2 C2 146.2(5) .
N5 Gd1 N2 C3 -126.0(7) .
N15 Gd1 N2 C3 -103.1(19) .
N18 Gd1 N2 C3 55.8(7) .
N8 Gd1 N2 C3 128.8(7) .
N12 Gd1 N2 C3 -44.7(6) .
N1 Gd1 N2 C3 -178.7(7) .
N11 Gd1 N2 C3 0.5(7) .
N20 Ag1 N4 C13 164.0(11) 1_655
N20 Ag1 N4 C14 -27.4(18) 1_655
N15 Gd1 N5 C16 95.8(5) .
N2 Gd1 N5 C16 -86.8(5) .
N18 Gd1 N5 C16 75(2) .
N8 Gd1 N5 C16 16.0(5) .
N12 Gd1 N5 C16 -159.5(5) .
N1 Gd1 N5 C16 -34.4(5) .
N11 Gd1 N5 C16 144.5(5) .
N15 Gd1 N5 C17 -49.2(7) .
N2 Gd1 N5 C17 128.2(7) .
N18 Gd1 N5 C17 -70(2) .
N8 Gd1 N5 C17 -129.0(7) .
N12 Gd1 N5 C17 55.6(7) .
N1 Gd1 N5 C17 -179.3(7) .
N11 Gd1 N5 C17 -0.5(7) .
N10 Ag2 N7 C28 51.6(8) 4_575
N21 Ag2 N7 C28 175.6(7) .
N10 Ag2 N7 C27 -122.8(7) 4_575
N21 Ag2 N7 C27 1.3(8) .
N5 Gd1 N8 C30 -86.7(5) .
N15 Gd1 N8 C30 -158.6(5) .
N2 Gd1 N8 C30 16.2(5) .
N18 Gd1 N8 C30 98.6(5) .
N12 Gd1 N8 C30 62.0(15) .
N1 Gd1 N8 C30 -36.2(5) .
N11 Gd1 N8 C30 145.7(5) .
N5 Gd1 N8 C31 136.8(6) .
N15 Gd1 N8 C31 64.8(6) .
N2 Gd1 N8 C31 -120.3(6) .
N18 Gd1 N8 C31 -37.9(6) .
N12 Gd1 N8 C31 -74.5(15) .
N1 Gd1 N8 C31 -172.8(7) .
N11 Gd1 N8 C31 9.1(7) .
N5 Gd1 N11 C71 -132.3(4) .
N15 Gd1 N11 C71 -78.2(5) .
N2 Gd1 N11 C71 108.9(5) .
N18 Gd1 N11 C71 41.4(4) .
N8 Gd1 N11 C71 -11.1(5) .
N12 Gd1 N11 C71 159.1(5) .
N1 Gd1 N11 C71 -95(7) .
N5 Gd1 N11 C43 106.8(5) .
N15 Gd1 N11 C43 160.9(5) .
N2 Gd1 N11 C43 -12.0(5) .
N18 Gd1 N11 C43 -79.4(5) .
N8 Gd1 N11 C43 -131.9(4) .
N12 Gd1 N11 C43 38.2(4) .
N1 Gd1 N11 C43 144(6) .
N5 Gd1 N11 C57 -13.3(5) .
N15 Gd1 N11 C57 40.9(4) .
N2 Gd1 N11 C57 -132.1(4) .
N18 Gd1 N11 C57 160.5(5) .
N8 Gd1 N11 C57 108.0(4) .
N12 Gd1 N11 C57 -81.8(5) .
N1 Gd1 N11 C57 24(7) .
N5 Gd1 N12 C44 -159.8(5) .
N15 Gd1 N12 C44 -87.6(5) .
N2 Gd1 N12 C44 98.1(5) .
N18 Gd1 N12 C44 15.4(5) .
N8 Gd1 N12 C44 50.8(15) .
N1 Gd1 N12 C44 144.5(5) .
N11 Gd1 N12 C44 -37.4(5) .
N5 Gd1 N12 C45 63.2(6) .
N15 Gd1 N12 C45 135.4(6) .
N2 Gd1 N12 C45 -38.9(6) .
N18 Gd1 N12 C45 -121.6(6) .
N8 Gd1 N12 C45 -86.2(15) .
N1 Gd1 N12 C45 7.5(7) .
N11 Gd1 N12 C45 -174.4(7) .
N5 Gd1 N15 C58 92.8(5) .
N2 Gd1 N15 C58 69(2) .
N18 Gd1 N15 C58 -89.3(5) .
N8 Gd1 N15 C58 -161.9(5) .
N12 Gd1 N15 C58 12.3(6) .
N1 Gd1 N15 C58 141.8(5) .
N11 Gd1 N15 C58 -37.6(5) .
N5 Gd1 N15 C59 -40.9(6) .
N2 Gd1 N15 C59 -64(2) .
N18 Gd1 N15 C59 137.0(7) .
N8 Gd1 N15 C59 64.5(7) .
N12 Gd1 N15 C59 -121.4(7) .
N1 Gd1 N15 C59 8.2(7) .
N11 Gd1 N15 C59 -171.3(7) .
O25 Ag3 N17 C69 118.2(9) .
N14 Ag3 N17 C69 -31.7(19) 2_556
O25 Ag3 N17 C70 -73.0(11) .
N14 Ag3 N17 C70 137.1(14) 2_556
N5 Gd1 N18 C72 36(2) .
N15 Gd1 N18 C72 16.1(5) .
N2 Gd1 N18 C72 -161.5(5) .
N8 Gd1 N18 C72 96.8(5) .
N12 Gd1 N18 C72 -88.5(5) .
N1 Gd1 N18 C72 142.8(5) .
N11 Gd1 N18 C72 -35.9(5) .
N5 Gd1 N18 C73 -105.1(19) .
N15 Gd1 N18 C73 -125.2(6) .
N2 Gd1 N18 C73 57.2(6) .
N8 Gd1 N18 C73 -44.5(6) .
N12 Gd1 N18 C73 130.2(6) .
N1 Gd1 N18 C73 1.5(7) .
N11 Gd1 N18 C73 -177.2(7) .
N7 Ag2 N21 C85 -43(8) .
N10 Ag2 N21 C85 91(8) 4_575
C15 N1 C1 C2 -161.5(6) .
C29 N1 C1 C2 78.2(7) .
Gd1 N1 C1 C2 -42.7(6) .
C3 N2 C2 N3 0.6(8) .
Gd1 N2 C2 N3 -154.3(5) .
C3 N2 C2 C1 178.6(7) .
Gd1 N2 C2 C1 23.7(9) .
C8 N3 C2 N2 0.2(8) .
C9 N3 C2 N2 171.9(7) .
C8 N3 C2 C1 -177.7(7) .
C9 N3 C2 C1 -6.0(11) .
N1 C1 C2 N2 14.9(9) .
N1 C1 C2 N3 -167.3(7) .
C2 N2 C3 C8 -1.2(8) .
Gd1 N2 C3 C8 147.1(6) .
C2 N2 C3 C4 -179.5(8) .
Gd1 N2 C3 C4 -31.2(11) .
N2 C3 C4 C5 177.5(7) .
C8 C3 C4 C5 -0.6(11) .
C3 C4 C5 C6 0.0(12) .
C4 C5 C6 C7 0.0(13) .
C5 C6 C7 C8 0.6(13) .
C2 N3 C8 C3 -1.0(8) .
C9 N3 C8 C3 -172.7(7) .
C2 N3 C8 C7 177.4(8) .
C9 N3 C8 C7 5.6(13) .
N2 C3 C8 N3 1.4(8) .
C4 C3 C8 N3 179.8(7) .
N2 C3 C8 C7 -177.1(7) .
C4 C3 C8 C7 1.3(11) .
C6 C7 C8 N3 -179.4(8) .
C6 C7 C8 C3 -1.3(12) .
C2 N3 C9 C10 106.8(9) .
C8 N3 C9 C10 -83.1(9) .
N3 C9 C10 C11 117.2(10) .
N3 C9 C10 C14 -64.3(11) .
C14 C10 C11 C12 -0.8(17) .
C9 C10 C11 C12 177.7(11) .
C10 C11 C12 C13 -1(2) .
C14 N4 C13 C12 -3.1(16) .
Ag1 N4 C13 C12 165.2(9) .
C11 C12 C13 N4 3.5(19) .
C13 N4 C14 C10 0.8(15) .
Ag1 N4 C14 C10 -168.3(8) .
C11 C10 C14 N4 1.2(15) .
C9 C10 C14 N4 -177.3(9) .
C1 N1 C15 C16 76.5(7) .
C29 N1 C15 C16 -163.1(6) .
Gd1 N1 C15 C16 -42.9(6) .
C17 N5 C16 N6 0.7(9) .
Gd1 N5 C16 N6 -153.7(5) .
C17 N5 C16 C15 179.6(7) .
Gd1 N5 C16 C15 25.2(9) .
C22 N6 C16 N5 -0.1(9) .
C23 N6 C16 N5 171.8(7) .
C22 N6 C16 C15 -179.0(7) .
C23 N6 C16 C15 -7.1(12) .
N1 C15 C16 N5 14.3(10) .
N1 C15 C16 N6 -166.8(7) .
C16 N5 C17 C22 -1.0(8) .
Gd1 N5 C17 C22 146.5(6) .
C16 N5 C17 C18 179.4(8) .
Gd1 N5 C17 C18 -33.1(12) .
N5 C17 C18 C19 177.0(8) .
C22 C17 C18 C19 -2.5(12) .
C17 C18 C19 C20 1.9(13) .
C18 C19 C20 C21 -1.4(14) .
C19 C20 C21 C22 1.2(14) .
N5 C17 C22 N6 1.0(8) .
C18 C17 C22 N6 -179.4(7) .
N5 C17 C22 C21 -177.0(7) .
C18 C17 C22 C21 2.6(12) .
C16 N6 C22 C17 -0.6(8) .
C23 N6 C22 C17 -172.7(7) .
C16 N6 C22 C21 177.2(9) .
C23 N6 C22 C21 5.1(13) .
C20 C21 C22 C17 -1.9(13) .
C20 C21 C22 N6 -179.4(8) .
C16 N6 C23 C24 107.1(9) .
C22 N6 C23 C24 -82.5(9) .
N6 C23 C24 C28 110.6(9) .
N6 C23 C24 C25 -69.5(11) .
C28 C24 C25 C26 2.1(15) .
C23 C24 C25 C26 -177.8(10) .
C24 C25 C26 C27 -1.0(17) .
C28 N7 C27 C26 2.7(14) .
Ag2 N7 C27 C26 177.2(8) .
C25 C26 C27 N7 -1.4(17) .
C27 N7 C28 C24 -1.6(13) .
Ag2 N7 C28 C24 -176.0(6) .
C25 C24 C28 N7 -0.8(13) .
C23 C24 C28 N7 179.1(8) .
C1 N1 C29 C30 -156.6(6) .
C15 N1 C29 C30 83.2(7) .
Gd1 N1 C29 C30 -36.1(7) .
C31 N8 C30 N9 0.3(8) .
Gd1 N8 C30 N9 -145.8(5) .
C31 N8 C30 C29 179.3(7) .
Gd1 N8 C30 C29 33.2(9) .
C36 N9 C30 N8 0.9(8) .
C37 N9 C30 N8 178.6(7) .
C36 N9 C30 C29 -178.1(7) .
C37 N9 C30 C29 -0.4(12) .
N1 C29 C30 N8 3.7(10) .
N1 C29 C30 N9 -177.3(6) .
C30 N8 C31 C32 178.2(8) .
Gd1 N8 C31 C32 -43.0(11) .
C30 N8 C31 C36 -1.4(8) .
Gd1 N8 C31 C36 137.5(5) .
N8 C31 C32 C33 177.4(8) .
C36 C31 C32 C33 -3.1(11) .
C31 C32 C33 C34 -1.7(12) .
C32 C33 C34 C35 4.2(13) .
C33 C34 C35 C36 -1.6(12) .
C34 C35 C36 N9 -178.8(8) .
C34 C35 C36 C31 -3.4(12) .
C30 N9 C36 C35 174.3(8) .
C37 N9 C36 C35 -3.4(13) .
C30 N9 C36 C31 -1.7(8) .
C37 N9 C36 C31 -179.4(7) .
N8 C31 C36 C35 -174.5(7) .
C32 C31 C36 C35 5.9(12) .
N8 C31 C36 N9 1.9(8) .
C32 C31 C36 N9 -177.7(7) .
C30 N9 C37 C38 100.6(9) .
C36 N9 C37 C38 -82.1(10) .
N9 C37 C38 C42 91.4(9) .
N9 C37 C38 C39 -88.8(9) .
C42 C38 C39 C40 -1.0(12) .
C37 C38 C39 C40 179.2(8) .
C38 C39 C40 C41 -0.2(15) .
C39 C40 C41 N10 0.7(16) .
C42 N10 C41 C40 0.1(14) .
Ag2 N10 C41 C40 179.0(8) 4_576
C41 N10 C42 C38 -1.4(12) .
Ag2 N10 C42 C38 179.6(6) 4_576
C39 C38 C42 N10 1.8(12) .
C37 C38 C42 N10 -178.3(7) .
C71 N11 C43 C44 -156.7(6) .
C57 N11 C43 C44 81.8(7) .
Gd1 N11 C43 C44 -36.7(7) .
C45 N12 C44 N13 1.8(8) .
Gd1 N12 C44 N13 -145.3(5) .
C45 N12 C44 C43 -179.1(7) .
Gd1 N12 C44 C43 33.7(8) .
C50 N13 C44 N12 0.3(9) .
C51 N13 C44 N12 170.7(7) .
C50 N13 C44 C43 -178.7(7) .
C51 N13 C44 C43 -8.3(12) .
N11 C43 C44 N12 4.0(10) .
N11 C43 C44 N13 -177.0(7) .
C44 N12 C45 C50 -3.3(8) .
Gd1 N12 C45 C50 136.7(6) .
C44 N12 C45 C46 179.5(8) .
Gd1 N12 C45 C46 -40.5(11) .
C50 C45 C46 C47 -0.4(11) .
N12 C45 C46 C47 176.4(7) .
C45 C46 C47 C48 -2.0(12) .
C46 C47 C48 C49 2.9(14) .
C47 C48 C49 C50 -1.2(13) .
C46 C45 C50 C49 2.1(12) .
N12 C45 C50 C49 -175.4(7) .
C46 C45 C50 N13 -179.0(7) .
N12 C45 C50 N13 3.5(8) .
C48 C49 C50 C45 -1.3(12) .
C48 C49 C50 N13 -179.9(8) .
C44 N13 C50 C45 -2.4(8) .
C51 N13 C50 C45 -173.1(7) .
C44 N13 C50 C49 176.4(8) .
C51 N13 C50 C49 5.7(13) .
C44 N13 C51 C52 107.1(9) .
C50 N13 C51 C52 -84.3(10) .
N13 C51 C52 C56 137.8(10) .
N13 C51 C52 C53 -38.7(15) .
C56 C52 C53 C54 6(2) .
C51 C52 C53 C54 -177.5(13) .
C52 C53 C54 C55 0(3) .
C56 N14 C55 C54 3(2) .
Ag3 N14 C55 C54 170.8(13) 2_546
C53 C54 C55 N14 -5(3) .
C53 C52 C56 N14 -8.1(19) .
C51 C52 C56 N14 175.2(11) .
C55 N14 C56 C52 4(2) .
Ag3 N14 C56 C52 -163.4(9) 2_546
C71 N11 C57 C58 78.3(7) .
C43 N11 C57 C58 -160.0(6) .
Gd1 N11 C57 C58 -40.1(7) .
C59 N15 C58 N16 -0.2(8) .
Gd1 N15 C58 N16 -145.3(5) .
C59 N15 C58 C57 177.8(7) .
Gd1 N15 C58 C57 32.6(9) .
C64 N16 C58 N15 0.9(9) .
C65 N16 C58 N15 169.3(7) .
C64 N16 C58 C57 -177.0(7) .
C65 N16 C58 C57 -8.6(12) .
N11 C57 C58 N15 7.5(10) .
N11 C57 C58 N16 -174.8(7) .
C58 N15 C59 C60 -179.8(8) .
Gd1 N15 C59 C60 -43.5(12) .
C58 N15 C59 C64 -0.6(8) .
Gd1 N15 C59 C64 135.7(6) .
C64 C59 C60 C61 -4.2(11) .
N15 C59 C60 C61 174.9(8) .
C59 C60 C61 C62 0.7(12) .
C60 C61 C62 C63 2.5(14) .
C61 C62 C63 C64 -1.9(13) .
C62 C63 C64 N16 -176.0(8) .
C62 C63 C64 C59 -1.7(12) .
C58 N16 C64 C63 173.8(8) .
C65 N16 C64 C63 5.5(13) .
C58 N16 C64 C59 -1.3(8) .
C65 N16 C64 C59 -169.5(7) .
C60 C59 C64 C63 4.9(12) .
N15 C59 C64 C63 -174.3(7) .
C60 C59 C64 N16 -179.6(7) .
N15 C59 C64 N16 1.2(8) .
C58 N16 C65 C66 108.9(9) .
C64 N16 C65 C66 -84.8(10) .
N16 C65 C66 C70 -49.4(13) .
N16 C65 C66 C67 136.0(9) .
C70 C66 C67 C68 0.5(15) .
C65 C66 C67 C68 175.2(9) .
C66 C67 C68 C69 -1.4(16) .
C67 C68 C69 N17 1.7(17) .
C70 N17 C69 C68 -0.9(17) .
Ag3 N17 C69 C68 169.0(9) .
C69 N17 C70 C66 -0.1(18) .
Ag3 N17 C70 C66 -169.1(9) .
C67 C66 C70 N17 0.3(17) .
C65 C66 C70 N17 -174.2(10) .
C43 N11 C71 C72 78.0(7) .
C57 N11 C71 C72 -160.3(6) .
Gd1 N11 C71 C72 -42.6(7) .
C78 N19 C72 N18 0.6(9) .
C79 N19 C72 N18 177.8(7) .
C78 N19 C72 C71 -178.0(7) .
C79 N19 C72 C71 -0.8(12) .
C73 N18 C72 N19 0.5(9) .
Gd1 N18 C72 N19 -150.6(5) .
C73 N18 C72 C71 179.1(7) .
Gd1 N18 C72 C71 28.0(9) .
N11 C71 C72 N19 -169.3(7) .
N11 C71 C72 N18 12.2(10) .
C72 N18 C73 C74 -179.8(8) .
Gd1 N18 C73 C74 -35.8(12) .
C72 N18 C73 C78 -1.4(8) .
Gd1 N18 C73 C78 142.6(5) .
N18 C73 C74 C75 176.4(8) .
C78 C73 C74 C75 -1.9(11) .
C73 C74 C75 C76 1.2(12) .
C74 C75 C76 C77 0.4(12) .
C75 C76 C77 C78 -1.3(12) .
C76 C77 C78 N19 -178.6(8) .
C76 C77 C78 C73 0.6(11) .
C72 N19 C78 C77 177.8(8) .
C79 N19 C78 C77 0.4(13) .
C72 N19 C78 C73 -1.5(8) .
C79 N19 C78 C73 -178.8(7) .
C74 C73 C78 C77 1.0(11) .
N18 C73 C78 C77 -177.6(7) .
C74 C73 C78 N19 -179.6(7) .
N18 C73 C78 N19 1.8(8) .
C72 N19 C79 C80 107.2(9) .
C78 N19 C79 C80 -76.0(9) .
N19 C79 C80 C81 126.9(9) .
N19 C79 C80 C84 -51.9(10) .
C84 C80 C81 C82 1.0(16) .
C79 C80 C81 C82 -177.8(10) .
C80 C81 C82 C83 -1.4(19) .
C84 N20 C83 C82 -1.3(16) .
Ag1 N20 C83 C82 176.8(10) 1_455
C81 C82 C83 N20 2(2) .
C83 N20 C84 C80 0.9(13) .
Ag1 N20 C84 C80 -177.2(7) 1_455
C81 C80 C84 N20 -0.8(14) .
C79 C80 C84 N20 178.1(8) .
Ag2 N21 C85 C86 -149(39) .
