#------------------------------------------------------------------------------
#$Date: 2016-03-26 16:32:09 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180341 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/10/7201080.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_7201080
loop_
_publ_author_name
'Zhang, Zhen-Jie'
'Shi, Wei'
'Huang, Yong-Quan'
'Zhao, Bin'
'Cheng, Peng'
'Liao, Dai-Zheng'
'Yan, Shi-Ping'
_publ_section_title
;
 The self-assembly of a heteronuclear complex monitored with ESI-MS and
 fluorescence spectrophotometry
;
_journal_issue                   9
_journal_name_full               CrystEngComm
_journal_page_first              1811
_journal_paper_doi               10.1039/b904704m
_journal_volume                  11
_journal_year                    2009
_chemical_formula_sum            'C21 H24 Ag3 N0 O27 Tb'
_chemical_formula_weight         1190.93
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                101.26(3)
_cell_angle_beta                 104.48(3)
_cell_angle_gamma                98.16(3)
_cell_formula_units_Z            2
_cell_length_a                   8.7400(17)
_cell_length_b                   11.111(2)
_cell_length_c                   16.820(3)
_cell_measurement_reflns_used    4090
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.9564
_cell_measurement_theta_min      1.9076
_cell_volume                     1519.4(6)
_computing_cell_refinement       'CrystalClear (Rigaku/MSC Inc., 2005)'
_computing_data_collection       'CrystalClear (Rigaku/MSC Inc., 2005)'
_computing_data_reduction        'CrystalClear (Rigaku/MSC Inc., 2005)'
_computing_publication_material  'CrystalClear (Rigaku/MSC Inc., 2005)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 28.5714
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Rigaku Saturn'
_diffrn_measurement_method       dtprofit.ref
_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  0.0364
_diffrn_reflns_av_sigmaI/netI    0.0571
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            9313
_diffrn_reflns_theta_full        25.02
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         1.91
_exptl_absorpt_coefficient_mu    4.319
_exptl_absorpt_correction_T_max  0.8462
_exptl_absorpt_correction_T_min  0.6253
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'CrystalClear (Rigaku/MSC Inc., 2005)'
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    2.603
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             1144
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.04
_refine_diff_density_max         1.498
_refine_diff_density_min         -0.961
_refine_diff_density_rms         0.176
_refine_ls_extinction_coef       0.0038(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.020
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     470
_refine_ls_number_reflns         5320
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.020
_refine_ls_R_factor_all          0.0505
_refine_ls_R_factor_gt           0.0387
_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)+(0.0545P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0909
_refine_ls_wR_factor_ref         0.0986
_reflns_number_gt                4363
_reflns_number_total             5320
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b904704m.txt
_cod_data_source_block           r61022b
_cod_depositor_comments
;
The following automatic conversions were performed:
'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        1519.6(5)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7201080
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Tb1 Tb 0.32147(4) 0.81153(3) 0.572610(19) 0.01842(12) Uani 1 1 d . . .
Ag1 Ag 0.38044(7) 1.07608(6) 0.95407(4) 0.03804(18) Uani 1 1 d . . .
Ag2 Ag 0.60900(7) 1.28198(6) 1.07210(4) 0.03984(18) Uani 1 1 d . . .
Ag3 Ag 0.61855(7) 0.59705(6) 0.05779(4) 0.03895(18) Uani 1 1 d . . .
C1 C 0.8164(9) 1.1333(6) 0.8653(4) 0.0244(15) Uani 1 1 d . . .
C2 C 0.9725(8) 1.1922(6) 0.8891(4) 0.0240(15) Uani 1 1 d . . .
H2 H 1.0170 1.2494 0.9411 0.029 Uiso 1 1 calc R . .
C3 C 1.0696(9) 1.1648(6) 0.8318(4) 0.0248(15) Uani 1 1 d . . .
C4 C 0.9850(9) 1.0804(7) 0.7525(4) 0.0276(16) Uani 1 1 d . . .
H4 H 1.0391 1.0613 0.7121 0.033 Uiso 1 1 calc R . .
C5 C 0.8290(8) 1.0281(6) 0.7350(4) 0.0232(15) Uani 1 1 d . . .
C6 C 0.7018(9) 1.1533(7) 0.9192(5) 0.0280(17) Uani 1 1 d . . .
C7 C 0.7275(9) 0.9403(6) 0.6494(4) 0.0263(16) Uani 1 1 d . . .
C8 C 0.1686(9) 0.6569(6) 0.2840(4) 0.0247(15) Uani 1 1 d . . .
C9 C 0.0112(9) 0.6050(6) 0.2649(4) 0.0275(16) Uani 1 1 d . . .
H9 H -0.0440 0.6256 0.3047 0.033 Uiso 1 1 calc R . .
C10 C -0.0745(9) 0.5186(6) 0.1853(5) 0.0271(16) Uani 1 1 d . . .
C11 C 0.0240(8) 0.4917(6) 0.1289(4) 0.0250(15) Uani 1 1 d . . .
H11 H -0.0212 0.4354 0.0765 0.030 Uiso 1 1 calc R . .
C12 C 0.1817(9) 0.5483(6) 0.1522(4) 0.0274(16) Uani 1 1 d . . .
C13 C 0.2687(9) 0.7476(6) 0.3640(4) 0.0256(16) Uani 1 1 d . . .
C14 C 0.2955(9) 0.5254(7) 0.0990(4) 0.0273(16) Uani 1 1 d . . .
C15 C -0.1265(9) 0.6825(6) 0.7189(5) 0.0281(16) Uani 1 1 d . . .
C16 C 0.0291(9) 0.7415(6) 0.7427(5) 0.0293(17) Uani 1 1 d . . .
H16 H 0.0923 0.7229 0.7067 0.035 Uiso 1 1 calc R . .
C17 C 0.1010(9) 0.8322(6) 0.8221(5) 0.0274(16) Uani 1 1 d . . .
C18 C -0.0082(8) 0.8509(6) 0.8730(4) 0.0244(15) Uani 1 1 d . . .
H18 H 0.0290 0.9067 0.9259 0.029 Uiso 1 1 calc R . .
C19 C -0.1626(9) 0.7894(6) 0.8454(4) 0.0265(16) Uani 1 1 d . . .
C20 C -0.2851(9) 0.8037(7) 0.8940(5) 0.0333(18) Uani 1 1 d . . .
C21 C -0.2077(9) 0.5837(7) 0.6363(5) 0.0287(16) Uani 1 1 d . . .
O1 O 0.5678(7) 1.0793(5) 0.8910(4) 0.0471(15) Uani 1 1 d . . .
O2 O 0.7559(6) 1.2394(5) 0.9843(3) 0.0390(13) Uani 1 1 d . . .
O3 O 0.7427(6) 1.0501(4) 0.7897(3) 0.0260(11) Uani 1 1 d . . .
O4 O 1.2146(6) 1.2128(5) 0.8511(3) 0.0349(12) Uani 1 1 d . . .
O5 O 0.5834(6) 0.9023(5) 0.6430(3) 0.0391(13) Uani 1 1 d . . .
O6 O 0.8001(6) 0.9170(6) 0.5964(3) 0.0457(15) Uani 1 1 d . . .
O7 O 0.3984(7) 0.8078(5) 0.3630(3) 0.0439(15) Uani 1 1 d . . .
O8 O 0.2106(6) 0.7540(5) 0.4255(3) 0.0354(13) Uani 1 1 d . . .
O9 O 0.2549(6) 0.6318(4) 0.2277(3) 0.0254(11) Uani 1 1 d . . .
O10 O -0.2209(6) 0.4739(5) 0.1656(3) 0.0347(12) Uani 1 1 d . . .
O11 O 0.4341(6) 0.5913(5) 0.1276(3) 0.0379(13) Uani 1 1 d . . .
O12 O 0.2345(6) 0.4438(5) 0.0301(3) 0.0363(13) Uani 1 1 d . . .
O13 O -0.1242(9) 0.5716(6) 0.5869(4) 0.064(2) Uani 1 1 d . . .
O14 O -0.3419(7) 0.5216(5) 0.6268(4) 0.0445(14) Uani 1 1 d . . .
O15 O -0.2247(6) 0.7045(4) 0.7679(3) 0.0269(11) Uani 1 1 d . . .
O16 O 0.2415(6) 0.8862(5) 0.8444(3) 0.0364(13) Uani 1 1 d . . .
O17 O -0.4228(6) 0.7371(5) 0.8616(3) 0.0405(14) Uani 1 1 d . . .
O18 O -0.2300(6) 0.8826(5) 0.9638(3) 0.0383(14) Uani 1 1 d . . .
O19 O 0.4730(7) 0.6762(5) 0.5189(3) 0.0527(17) Uani 1 1 d . . .
H19A H 0.4574 0.6310 0.4695 0.063 Uiso 1 1 d R . .
H19B H 0.5547 0.6597 0.5513 0.063 Uiso 1 1 d R . .
O20 O 0.3575(6) 1.0023(5) 0.5419(3) 0.0371(13) Uani 1 1 d . . .
H20A H 0.3131 1.0234 0.4971 0.045 Uiso 1 1 d R . .
H20B H 0.4382 1.0602 0.5704 0.045 Uiso 1 1 d R . .
O21 O 0.3837(7) 0.7271(5) 0.6913(3) 0.0455(14) Uani 1 1 d . . .
H21A H 0.3311 0.6519 0.6771 0.055 Uiso 1 1 d R . .
H21B H 0.4561 0.7357 0.7378 0.055 Uiso 1 1 d R . .
O22 O 0.0572(6) 0.8387(5) 0.5425(4) 0.0468(15) Uani 1 1 d . . .
H22A H 0.0306 0.8651 0.4979 0.056 Uiso 1 1 d R . .
H22B H -0.0143 0.8480 0.5681 0.056 Uiso 1 1 d R . .
O23 O 0.2903(7) 0.9472(5) 0.6917(3) 0.0396(14) Uani 1 1 d . . .
H23A H 0.2691 0.9451 0.7377 0.048 Uiso 1 1 d R . .
H23B H 0.3829 0.9936 0.7029 0.048 Uiso 1 1 d R . .
O24 O 0.1650(7) 0.6141(5) 0.5476(3) 0.0482(15) Uani 1 1 d . . .
H24A H 0.0784 0.6110 0.5621 0.058 Uiso 1 1 d R . .
H24B H 0.1803 0.5397 0.5355 0.058 Uiso 1 1 d R . .
O25 O 0.1987(11) 0.2804(8) 0.5830(6) 0.121(4) Uani 1 1 d . . .
H25A H 0.2389 0.3551 0.5840 0.146 Uiso 1 1 d R . .
H25B H 0.2584 0.2635 0.6258 0.146 Uiso 1 1 d R . .
O26 O 0.6259(9) 0.8090(6) 0.2805(4) 0.065(2) Uani 1 1 d . . .
H26A H 0.6335 0.7689 0.2336 0.077 Uiso 1 1 d R . .
H26B H 0.5420 0.7715 0.2892 0.077 Uiso 1 1 d R . .
O27 O 0.5972(8) 0.5086(6) 0.3021(4) 0.0610(18) Uani 1 1 d . . .
H27A H 0.5743 0.5104 0.2503 0.073 Uiso 1 1 d R . .
H27B H 0.5091 0.4965 0.3150 0.073 Uiso 1 1 d 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'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Tb Tb -0.1723 4.1537 '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
_geom_angle_publ_flag
O20 Tb1 O5 75.2(2) . . ?
O20 Tb1 O22 80.9(2) . . ?
O5 Tb1 O22 145.60(19) . . ?
O20 Tb1 O24 149.6(2) . . ?
O5 Tb1 O24 134.5(2) . . ?
O22 Tb1 O24 74.4(2) . . ?
O20 Tb1 O19 114.1(2) . . ?
O5 Tb1 O19 74.8(2) . . ?
O22 Tb1 O19 138.6(2) . . ?
O24 Tb1 O19 76.0(2) . . ?
O20 Tb1 O8 79.52(19) . . ?
O5 Tb1 O8 125.68(18) . . ?
O22 Tb1 O8 72.15(18) . . ?
O24 Tb1 O8 76.32(19) . . ?
O19 Tb1 O8 73.12(18) . . ?
O20 Tb1 O21 138.2(2) . . ?
O5 Tb1 O21 74.7(2) . . ?
O22 Tb1 O21 110.2(2) . . ?
O24 Tb1 O21 68.6(2) . . ?
O19 Tb1 O21 84.7(2) . . ?
O8 Tb1 O21 142.1(2) . . ?
O20 Tb1 O23 76.89(18) . . ?
O5 Tb1 O23 79.19(19) . . ?
O22 Tb1 O23 71.53(19) . . ?
O24 Tb1 O23 110.70(19) . . ?
O19 Tb1 O23 147.4(2) . . ?
O8 Tb1 O23 139.15(19) . . ?
O21 Tb1 O23 69.63(19) . . ?
O20 Tb1 H23B 67.1 . . ?
O5 Tb1 H23B 61.1 . . ?
O22 Tb1 H23B 87.0 . . ?
O24 Tb1 H23B 127.7 . . ?
O19 Tb1 H23B 134.3 . . ?
O8 Tb1 H23B 143.1 . . ?
O21 Tb1 H23B 73.2 . . ?
O23 Tb1 H23B 19.4 . . ?
O1 Ag1 O18 165.6(2) . 2_577 ?
O1 Ag1 O16 85.68(19) . . ?
O18 Ag1 O16 108.62(19) 2_577 . ?
O1 Ag1 Ag2 81.77(15) . . ?
O18 Ag1 Ag2 84.12(15) 2_577 . ?
O16 Ag1 Ag2 166.31(12) . . ?
O1 Ag1 Ag1 75.91(18) . 2_677 ?
O18 Ag1 Ag1 104.69(16) 2_577 2_677 ?
O16 Ag1 Ag1 90.19(14) . 2_677 ?
Ag2 Ag1 Ag1 81.51(4) . 2_677 ?
O17 Ag2 O2 161.7(2) 2_577 . ?
O17 Ag2 O10 98.17(18) 2_577 1_666 ?
O2 Ag2 O10 99.74(18) . 1_666 ?
O17 Ag2 Ag1 79.90(15) 2_577 . ?
O2 Ag2 Ag1 82.81(14) . . ?
O10 Ag2 Ag1 172.49(13) 1_666 . ?
O17 Ag2 Ag3 89.62(16) 2_577 2_676 ?
O2 Ag2 Ag3 91.53(15) . 2_676 ?
O10 Ag2 Ag3 98.29(13) 1_666 2_676 ?
Ag1 Ag2 Ag3 74.51(3) . 2_676 ?
O12 Ag3 O11 165.60(19) 2_665 . ?
O12 Ag3 O4 99.30(18) 2_665 2_776 ?
O11 Ag3 O4 95.04(17) . 2_776 ?
O12 Ag3 Ag3 85.21(14) 2_665 2_665 ?
O11 Ag3 Ag3 80.92(14) . 2_665 ?
O4 Ag3 Ag3 169.13(14) 2_776 2_665 ?
O12 Ag3 Ag2 91.18(15) 2_665 2_676 ?
O11 Ag3 Ag2 88.28(15) . 2_676 ?
O4 Ag3 Ag2 97.78(14) 2_776 2_676 ?
Ag3 Ag3 Ag2 72.12(4) 2_665 2_676 ?
C2 C1 O3 123.7(6) . . ?
C2 C1 C6 124.1(6) . . ?
O3 C1 C6 112.1(6) . . ?
C1 C2 C3 118.8(6) . . ?
C1 C2 H2 120.6 . . ?
C3 C2 H2 120.6 . . ?
O4 C3 C4 123.2(6) . . ?
O4 C3 C2 121.8(6) . . ?
C4 C3 C2 115.0(6) . . ?
C5 C4 C3 121.3(6) . . ?
C5 C4 H4 119.3 . . ?
C3 C4 H4 119.3 . . ?
O3 C5 C4 123.1(6) . . ?
O3 C5 C7 112.6(6) . . ?
C4 C5 C7 124.3(6) . . ?
O2 C6 O1 130.2(7) . . ?
O2 C6 C1 115.2(6) . . ?
O1 C6 C1 114.6(6) . . ?
O6 C7 O5 128.4(7) . . ?
O6 C7 C5 115.6(6) . . ?
O5 C7 C5 116.0(6) . . ?
C9 C8 O9 121.4(6) . . ?
C9 C8 C13 126.7(6) . . ?
O9 C8 C13 111.9(6) . . ?
C8 C9 C10 122.3(6) . . ?
C8 C9 H9 118.9 . . ?
C10 C9 H9 118.9 . . ?
O10 C10 C9 123.0(6) . . ?
O10 C10 C11 122.8(7) . . ?
C9 C10 C11 114.1(6) . . ?
C12 C11 C10 120.3(7) . . ?
C12 C11 H11 119.9 . . ?
C10 C11 H11 119.9 . . ?
C11 C12 O9 122.8(6) . . ?
C11 C12 C14 124.5(7) . . ?
O9 C12 C14 112.7(6) . . ?
O7 C13 O8 127.2(7) . . ?
O7 C13 C8 117.3(6) . . ?
O8 C13 C8 115.5(6) . . ?
O11 C14 O12 129.0(7) . . ?
O11 C14 C12 116.2(6) . . ?
O12 C14 C12 114.8(6) . . ?
O15 C15 C16 122.1(7) . . ?
O15 C15 C21 113.6(6) . . ?
C16 C15 C21 124.2(6) . . ?
C15 C16 C17 122.1(7) . . ?
C15 C16 H16 118.9 . . ?
C17 C16 H16 118.9 . . ?
O16 C17 C16 122.8(6) . . ?
O16 C17 C18 123.6(7) . . ?
C16 C17 C18 113.7(7) . . ?
C19 C18 C17 121.3(7) . . ?
C19 C18 H18 119.3 . . ?
C17 C18 H18 119.3 . . ?
C18 C19 O15 122.2(6) . . ?
C18 C19 C20 124.9(7) . . ?
O15 C19 C20 113.0(6) . . ?
O17 C20 O18 129.1(7) . . ?
O17 C20 C19 117.7(7) . . ?
O18 C20 C19 113.2(7) . . ?
O14 C21 O13 126.9(7) . . ?
O14 C21 C15 118.7(6) . . ?
O13 C21 C15 114.3(7) . . ?
C6 O1 Ag1 124.4(5) . . ?
C6 O2 Ag2 120.8(5) . . ?
C5 O3 C1 118.0(5) . . ?
C3 O4 Ag3 135.0(4) . 2_776 ?
C7 O5 Tb1 155.3(5) . . ?
C13 O8 Tb1 134.2(5) . . ?
C12 O9 C8 119.1(5) . . ?
C10 O10 Ag2 133.8(5) . 1_444 ?
C14 O11 Ag3 124.8(5) . . ?
C14 O12 Ag3 119.6(5) . 2_665 ?
C15 O15 C19 118.6(6) . . ?
C17 O16 Ag1 130.4(5) . . ?
C20 O17 Ag2 124.5(5) . 2_577 ?
C20 O18 Ag1 121.1(5) . 2_577 ?
Tb1 O19 H19A 131.0 . . ?
Tb1 O19 H19B 121.1 . . ?
H19A O19 H19B 107.7 . . ?
Tb1 O20 H20A 128.9 . . ?
Tb1 O20 H20B 121.7 . . ?
H20A O20 H20B 107.7 . . ?
Tb1 O21 H21A 107.6 . . ?
Tb1 O21 H21B 142.1 . . ?
H21A O21 H21B 107.4 . . ?
Tb1 O22 H22A 111.5 . . ?
Tb1 O22 H22B 138.5 . . ?
H22A O22 H22B 107.7 . . ?
Tb1 O23 H23A 140.3 . . ?
Tb1 O23 H23B 93.8 . . ?
H23A O23 H23B 108.3 . . ?
Tb1 O24 H24A 116.3 . . ?
Tb1 O24 H24B 134.8 . . ?
H24A O24 H24B 107.7 . . ?
H25A O25 H25B 105.6 . . ?
H26A O26 H26B 107.7 . . ?
H27A O27 H27B 107.7 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Tb1 O20 2.276(5) . ?
Tb1 O5 2.277(5) . ?
Tb1 O22 2.314(5) . ?
Tb1 O24 2.315(5) . ?
Tb1 O19 2.338(5) . ?
Tb1 O8 2.341(5) . ?
Tb1 O21 2.344(5) . ?
Tb1 O23 2.360(5) . ?
Tb1 H23B 2.5603 . ?
Ag1 O1 2.162(5) . ?
Ag1 O18 2.163(5) 2_577 ?
Ag1 O16 2.442(5) . ?
Ag1 Ag2 2.8481(16) . ?
Ag1 Ag1 3.1658(16) 2_677 ?
Ag2 O17 2.200(5) 2_577 ?
Ag2 O2 2.214(5) . ?
Ag2 O10 2.419(5) 1_666 ?
Ag2 Ag3 3.2044(14) 2_676 ?
Ag3 O12 2.213(5) 2_665 ?
Ag3 O11 2.220(5) . ?
Ag3 O4 2.384(5) 2_776 ?
Ag3 Ag3 2.7938(18) 2_665 ?
Ag3 Ag2 3.2045(14) 2_676 ?
C1 C2 1.350(10) . ?
C1 O3 1.360(8) . ?
C1 C6 1.520(9) . ?
C2 C3 1.452(9) . ?
C2 H2 0.9300 . ?
C3 O4 1.237(8) . ?
C3 C4 1.423(10) . ?
C4 C5 1.338(10) . ?
C4 H4 0.9300 . ?
C5 O3 1.337(7) . ?
C5 C7 1.542(10) . ?
C6 O2 1.242(9) . ?
C6 O1 1.252(9) . ?
C7 O6 1.226(8) . ?
C7 O5 1.241(9) . ?
C8 C9 1.346(10) . ?
C8 O9 1.361(8) . ?
C8 C13 1.492(10) . ?
C9 C10 1.438(10) . ?
C9 H9 0.9300 . ?
C10 O10 1.239(9) . ?
C10 C11 1.450(9) . ?
C11 C12 1.355(10) . ?
C11 H11 0.9300 . ?
C12 O9 1.360(8) . ?
C12 C14 1.511(9) . ?
C13 O7 1.237(9) . ?
C13 O8 1.255(8) . ?
C14 O11 1.247(9) . ?
C14 O12 1.261(8) . ?
C15 O15 1.346(8) . ?
C15 C16 1.346(11) . ?
C15 C21 1.526(10) . ?
C16 C17 1.439(10) . ?
C16 H16 0.9300 . ?
C17 O16 1.217(9) . ?
C17 C18 1.442(9) . ?
C18 C19 1.344(10) . ?
C18 H18 0.9300 . ?
C19 O15 1.380(8) . ?
C19 C20 1.509(10) . ?
C20 O17 1.247(9) . ?
C20 O18 1.255(9) . ?
C21 O14 1.229(9) . ?
C21 O13 1.235(9) . ?
O4 Ag3 2.384(5) 2_776 ?
O10 Ag2 2.419(5) 1_444 ?
O12 Ag3 2.213(5) 2_665 ?
O17 Ag2 2.200(5) 2_577 ?
O18 Ag1 2.163(4) 2_577 ?
O19 H19A 0.8500 . ?
O19 H19B 0.8500 . ?
O20 H20A 0.8500 . ?
O20 H20B 0.8500 . ?
O21 H21A 0.8507 . ?
O21 H21B 0.8529 . ?
O22 H22A 0.8499 . ?
O22 H22B 0.8500 . ?
O23 H23A 0.8433 . ?
O23 H23B 0.8506 . ?
O24 H24A 0.8500 . ?
O24 H24B 0.8500 . ?
O25 H25A 0.8489 . ?
O25 H25B 0.8477 . ?
O26 H26A 0.8500 . ?
O26 H26B 0.8502 . ?
O27 H27A 0.8499 . ?
O27 H27B 0.8501 . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O1 Ag1 Ag2 O17 -175.3(2) . . . 2_577 ?
O18 Ag1 Ag2 O17 7.5(2) 2_577 . . 2_577 ?
O16 Ag1 Ag2 O17 -151.6(6) . . . 2_577 ?
Ag1 Ag1 Ag2 O17 -98.37(16) 2_677 . . 2_577 ?
O1 Ag1 Ag2 O2 -1.3(2) . . . . ?
O18 Ag1 Ag2 O2 -178.6(2) 2_577 . . . ?
O16 Ag1 Ag2 O2 22.4(6) . . . . ?
Ag1 Ag1 Ag2 O2 75.60(15) 2_677 . . . ?
O1 Ag1 Ag2 O10 109.1(9) . . . 1_666 ?
O18 Ag1 Ag2 O10 -68.2(9) 2_577 . . 1_666 ?
O16 Ag1 Ag2 O10 132.7(10) . . . 1_666 ?
Ag1 Ag1 Ag2 O10 -174.1(9) 2_677 . . 1_666 ?
O1 Ag1 Ag2 Ag3 92.32(18) . . . 2_676 ?
O18 Ag1 Ag2 Ag3 -84.95(16) 2_577 . . 2_676 ?
O16 Ag1 Ag2 Ag3 116.0(6) . . . 2_676 ?
Ag1 Ag1 Ag2 Ag3 169.20(3) 2_677 . . 2_676 ?
O3 C1 C2 C3 -1.0(11) . . . . ?
C6 C1 C2 C3 179.9(6) . . . . ?
C1 C2 C3 O4 -177.7(7) . . . . ?
C1 C2 C3 C4 3.0(10) . . . . ?
O4 C3 C4 C5 178.3(7) . . . . ?
C2 C3 C4 C5 -2.4(10) . . . . ?
C3 C4 C5 O3 -0.4(11) . . . . ?
C3 C4 C5 C7 177.4(6) . . . . ?
C2 C1 C6 O2 7.8(11) . . . . ?
O3 C1 C6 O2 -171.4(6) . . . . ?
C2 C1 C6 O1 -171.8(7) . . . . ?
O3 C1 C6 O1 9.0(9) . . . . ?
O3 C5 C7 O6 179.7(6) . . . . ?
C4 C5 C7 O6 1.7(11) . . . . ?
O3 C5 C7 O5 -0.3(9) . . . . ?
C4 C5 C7 O5 -178.3(7) . . . . ?
O9 C8 C9 C10 1.1(11) . . . . ?
C13 C8 C9 C10 179.7(6) . . . . ?
C8 C9 C10 O10 -177.0(7) . . . . ?
C8 C9 C10 C11 1.0(10) . . . . ?
O10 C10 C11 C12 176.6(7) . . . . ?
C9 C10 C11 C12 -1.4(10) . . . . ?
C10 C11 C12 O9 -0.3(11) . . . . ?
C10 C11 C12 C14 178.9(6) . . . . ?
C9 C8 C13 O7 -163.2(7) . . . . ?
O9 C8 C13 O7 15.5(9) . . . . ?
C9 C8 C13 O8 16.8(11) . . . . ?
O9 C8 C13 O8 -164.5(6) . . . . ?
C11 C12 C14 O11 175.5(7) . . . . ?
O9 C12 C14 O11 -5.2(9) . . . . ?
C11 C12 C14 O12 -2.6(10) . . . . ?
O9 C12 C14 O12 176.7(6) . . . . ?
O15 C15 C16 C17 -0.2(11) . . . . ?
C21 C15 C16 C17 -178.7(6) . . . . ?
C15 C16 C17 O16 -180.0(7) . . . . ?
C15 C16 C17 C18 1.1(10) . . . . ?
O16 C17 C18 C19 179.7(7) . . . . ?
C16 C17 C18 C19 -1.4(10) . . . . ?
C17 C18 C19 O15 0.7(11) . . . . ?
C17 C18 C19 C20 -179.7(7) . . . . ?
C18 C19 C20 O17 -177.6(7) . . . . ?
O15 C19 C20 O17 2.1(10) . . . . ?
C18 C19 C20 O18 1.6(11) . . . . ?
O15 C19 C20 O18 -178.7(6) . . . . ?
O15 C15 C21 O14 -10.1(10) . . . . ?
C16 C15 C21 O14 168.5(7) . . . . ?
O15 C15 C21 O13 173.1(7) . . . . ?
C16 C15 C21 O13 -8.3(11) . . . . ?
O2 C6 O1 Ag1 -2.1(12) . . . . ?
C1 C6 O1 Ag1 177.3(4) . . . . ?
O18 Ag1 O1 C6 13.2(14) 2_577 . . . ?
O16 Ag1 O1 C6 -172.4(7) . . . . ?
Ag2 Ag1 O1 C6 2.2(6) . . . . ?
Ag1 Ag1 O1 C6 -81.1(6) 2_677 . . . ?
O1 C6 O2 Ag2 0.2(12) . . . . ?
C1 C6 O2 Ag2 -179.2(4) . . . . ?
O17 Ag2 O2 C6 20.3(11) 2_577 . . . ?
O10 Ag2 O2 C6 -171.7(5) 1_666 . . . ?
Ag1 Ag2 O2 C6 1.1(5) . . . . ?
Ag3 Ag2 O2 C6 -73.1(6) 2_676 . . . ?
C4 C5 O3 C1 2.5(10) . . . . ?
C7 C5 O3 C1 -175.5(5) . . . . ?
C2 C1 O3 C5 -1.8(10) . . . . ?
C6 C1 O3 C5 177.4(6) . . . . ?
C4 C3 O4 Ag3 152.0(5) . . . 2_776 ?
C2 C3 O4 Ag3 -27.3(11) . . . 2_776 ?
O6 C7 O5 Tb1 -14.2(18) . . . . ?
C5 C7 O5 Tb1 165.8(9) . . . . ?
O20 Tb1 O5 C7 -73.0(12) . . . . ?
O22 Tb1 O5 C7 -120.4(12) . . . . ?
O24 Tb1 O5 C7 99.4(12) . . . . ?
O19 Tb1 O5 C7 47.6(12) . . . . ?
O8 Tb1 O5 C7 -8.0(13) . . . . ?
O21 Tb1 O5 C7 136.2(13) . . . . ?
O23 Tb1 O5 C7 -152.2(13) . . . . ?
O7 C13 O8 Tb1 -25.7(12) . . . . ?
C8 C13 O8 Tb1 154.3(5) . . . . ?
O20 Tb1 O8 C13 72.7(7) . . . . ?
O5 Tb1 O8 C13 9.7(7) . . . . ?
O22 Tb1 O8 C13 156.4(7) . . . . ?
O24 Tb1 O8 C13 -125.9(7) . . . . ?
O19 Tb1 O8 C13 -46.6(6) . . . . ?
O21 Tb1 O8 C13 -103.5(7) . . . . ?
O23 Tb1 O8 C13 128.2(6) . . . . ?
C11 C12 O9 C8 2.4(10) . . . . ?
C14 C12 O9 C8 -176.9(6) . . . . ?
C9 C8 O9 C12 -2.8(10) . . . . ?
C13 C8 O9 C12 178.4(6) . . . . ?
C9 C10 O10 Ag2 -153.3(5) . . . 1_444 ?
C11 C10 O10 Ag2 28.9(11) . . . 1_444 ?
O12 C14 O11 Ag3 5.7(12) . . . . ?
C12 C14 O11 Ag3 -172.1(4) . . . . ?
O12 Ag3 O11 C14 -22.3(12) 2_665 . . . ?
O4 Ag3 O11 C14 163.5(6) 2_776 . . . ?
Ag3 Ag3 O11 C14 -6.4(6) 2_665 . . . ?
Ag2 Ag3 O11 C14 65.8(6) 2_676 . . . ?
O11 C14 O12 Ag3 0.1(11) . . . 2_665 ?
C12 C14 O12 Ag3 177.9(4) . . . 2_665 ?
C16 C15 O15 C19 -0.6(10) . . . . ?
C21 C15 O15 C19 178.0(6) . . . . ?
C18 C19 O15 C15 0.4(10) . . . . ?
C20 C19 O15 C15 -179.3(6) . . . . ?
C16 C17 O16 Ag1 163.0(5) . . . . ?
C18 C17 O16 Ag1 -18.3(11) . . . . ?
O1 Ag1 O16 C17 -163.1(7) . . . . ?
O18 Ag1 O16 C17 15.5(7) 2_577 . . . ?
Ag2 Ag1 O16 C17 173.4(5) . . . . ?
Ag1 Ag1 O16 C17 121.1(7) 2_677 . . . ?
O18 C20 O17 Ag2 -9.4(12) . . . 2_577 ?
C19 C20 O17 Ag2 169.6(5) . . . 2_577 ?
O17 C20 O18 Ag1 -1.8(12) . . . 2_577 ?
C19 C20 O18 Ag1 179.1(4) . . . 2_577 ?
