#------------------------------------------------------------------------------
#$Date: 2016-03-26 22:45:49 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180517 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/86/7218601.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_7218601
loop_
_publ_author_name
'Zhou, Kun'
'Qin, Chao'
'Yan, Li-Kai'
'Wang, Fang-Ming'
'Su, Zhong-Min'
_publ_section_title
;
 Facile assembly of 1D multinuclear Agn (n = 11, 11, 12) alkynly chains
 with CF3COO--/CH3COO-- as auxiliary ligand
;
_journal_name_full               'RSC Adv.'
_journal_paper_doi               10.1039/C4RA09876E
_journal_year                    2014
_chemical_formula_sum            'C50 H75 Ag11 O8'
_chemical_formula_weight         1990.67
_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                99.434(5)
_cell_angle_beta                 99.090(5)
_cell_angle_gamma                116.326(5)
_cell_formula_units_Z            2
_cell_length_a                   13.983(5)
_cell_length_b                   14.005(5)
_cell_length_c                   18.653(5)
_cell_measurement_reflns_used    15420
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      24.80
_cell_measurement_theta_min      1.15
_cell_volume                     3117.9(18)
_computing_cell_refinement       'SAINT (Bruker, 1999)'
_computing_data_collection       'SMART (Bruker, 1997)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXTL-PLUS (Sheldrick, 1990)'
_computing_publication_material  SHELXL-97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXL-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.977
_diffrn_measured_fraction_theta_max 0.977
_diffrn_measurement_device_type  'Bruker APEX CCD area-detector'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0523
_diffrn_reflns_av_sigmaI/netI    0.1306
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            15420
_diffrn_reflns_theta_full        24.80
_diffrn_reflns_theta_max         24.80
_diffrn_reflns_theta_min         1.15
_exptl_absorpt_coefficient_mu    3.415
_exptl_absorpt_correction_T_max  0.5204
_exptl_absorpt_correction_T_min  0.5072
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.120
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1912
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.22
_refine_diff_density_max         1.085
_refine_diff_density_min         -1.074
_refine_diff_density_rms         0.217
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.993
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     404
_refine_ls_number_reflns         10520
_refine_ls_number_restraints     25
_refine_ls_restrained_S_all      0.992
_refine_ls_R_factor_all          0.1556
_refine_ls_R_factor_gt           0.0639
_refine_ls_shift/su_max          0.117
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0627P)²+11.8652P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1314
_refine_ls_wR_factor_ref         0.1799
_reflns_number_gt                5005
_reflns_number_total             10520
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            c4ra09876e2.cif
_cod_data_source_block           926485
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7218601
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
Ag1 Ag 0.58015(10) -0.04026(10) 0.44761(7) 0.0462(3) Uani 1 1 d . . .
Ag2 Ag 0.44228(10) -0.04364(10) 0.30531(7) 0.0447(3) Uani 1 1 d . . .
Ag3 Ag 0.54015(10) -0.08013(10) 1.05300(7) 0.0470(4) Uani 1 1 d . . .
Ag4 Ag 0.45615(10) -0.05782(10) 0.80542(7) 0.0443(3) Uani 1 1 d . . .
Ag5 Ag 0.36457(11) -0.17727(11) 0.91357(7) 0.0544(4) Uani 1 1 d . . .
Ag6 Ag 0.32285(11) -0.13548(11) 0.41333(7) 0.0539(4) Uani 1 1 d . . .
Ag7 Ag 0.61360(14) -0.11400(13) 0.75009(8) 0.0686(5) Uani 1 1 d . . .
Ag8 Ag 0.66412(13) 0.02181(12) 0.94148(8) 0.0706(5) Uani 1 1 d . . .
Ag9 Ag 0.47835(13) -0.16406(12) 0.55886(8) 0.0699(5) Uani 1 1 d . . .
Ag10 Ag 0.35903(14) -0.19155(13) 0.14138(8) 0.0765(5) Uani 1 1 d . . .
Ag11 Ag 0.30865(13) -0.14099(14) 0.64129(8) 0.0758(5) Uani 1 1 d . . .
O1 O 0.2933(10) -0.2370(9) 0.2402(7) 0.070(4) Uani 1 1 d . . .
O2 O 0.1770(10) -0.2661(10) 0.3171(6) 0.075(4) Uani 1 1 d . . .
O3 O 0.3528(11) -0.3016(11) 0.6065(7) 0.081(4) Uani 1 1 d . . .
O4 O 0.5007(12) -0.3011(11) 0.6662(8) 0.088(4) Uani 1 1 d . . .
O5 O 0.2619(9) -0.2077(9) 0.7424(6) 0.065(3) Uani 1 1 d . . .
O6 O 0.2323(10) -0.3206(9) 0.8160(6) 0.072(4) Uani 1 1 d . . .
O7 O 0.8007(12) -0.0016(12) 0.8363(9) 0.103(5) Uani 1 1 d . . .
O8 O 0.8029(11) 0.1471(12) 0.8944(8) 0.092(4) Uani 1 1 d . . .
C1 C 0.1974(15) -0.2845(14) 0.2572(10) 0.050(4) Uiso 1 1 d . . .
C2 C 0.101(2) -0.384(2) 0.1963(14) 0.129(10) Uiso 1 1 d . . .
H2A H 0.1242 -0.3936 0.1509 0.194 Uiso 1 1 calc R . .
H2B H 0.0390 -0.3718 0.1864 0.194 Uiso 1 1 calc R . .
H2C H 0.0811 -0.4498 0.2137 0.194 Uiso 1 1 calc R . .
C3 C 0.4020(18) -0.3414(16) 0.6384(11) 0.060(5) Uiso 1 1 d . . .
C4 C 0.335(2) -0.459(2) 0.6499(15) 0.144(11) Uiso 1 1 d . . .
H4A H 0.3851 -0.4786 0.6764 0.216 Uiso 1 1 calc R . .
H4B H 0.2952 -0.5112 0.6018 0.216 Uiso 1 1 calc R . .
H4C H 0.2841 -0.4579 0.6786 0.216 Uiso 1 1 calc R . .
C5 C 0.2141(15) -0.3018(15) 0.7546(11) 0.058(5) Uiso 1 1 d . . .
C6 C 0.1156(19) -0.3919(19) 0.6930(13) 0.117(9) Uiso 1 1 d . . .
H6A H 0.1100 -0.3664 0.6486 0.175 Uiso 1 1 calc R . .
H6B H 0.0494 -0.4102 0.7095 0.175 Uiso 1 1 calc R . .
H6C H 0.1248 -0.4562 0.6819 0.175 Uiso 1 1 calc R . .
C7 C 0.8410(18) 0.0958(19) 0.8645(12) 0.070(6) Uiso 1 1 d . . .
C8 C 0.957(2) 0.168(2) 0.8522(17) 0.176(13) Uiso 1 1 d . . .
H8A H 0.9832 0.2444 0.8756 0.265 Uiso 1 1 calc R . .
H8B H 0.9518 0.1578 0.7992 0.265 Uiso 1 1 calc R . .
H8C H 1.0086 0.1458 0.8741 0.265 Uiso 1 1 calc R . .
C9 C 0.7039(13) 0.0481(12) 1.0692(8) 0.042(4) Uiso 1 1 d . . .
C10 C 0.8012(13) 0.0921(12) 1.0845(8) 0.043(4) Uiso 1 1 d . . .
C11 C 0.9244(16) 0.1519(16) 1.1108(11) 0.071(6) Uiso 1 1 d . . .
C12 C 0.3946(12) -0.2273(12) 1.0316(8) 0.042(4) Uiso 1 1 d . . .
C13 C 0.3275(13) -0.3219(13) 1.0159(9) 0.046(4) Uiso 1 1 d . . .
C14 C 0.2428(10) -0.4478(12) 0.9930(7) 0.059(5) Uiso 1 1 d D . .
C15 C 0.5304(13) -0.1422(12) 0.8544(9) 0.047(4) Uiso 1 1 d . . .
C16 C 0.5667(13) -0.2022(13) 0.8699(9) 0.050(4) Uiso 1 1 d . B .
C17 C 0.6116(11) -0.2812(12) 0.8863(7) 0.058(5) Uiso 1 1 d D . .
C18 C 0.2729(12) -0.1037(12) 0.5291(9) 0.055(5) Uiso 1 1 d D . .
C19 C 0.1711(12) -0.1756(12) 0.5140(9) 0.048(4) Uiso 1 1 d D . .
C20 C 0.0545(14) -0.2543(14) 0.4958(10) 0.058(5) Uiso 1 1 d . . .
C21 C 0.4557(13) -0.1986(13) 0.4278(9) 0.044(4) Uiso 1 1 d . . .
C22 C 0.4084(13) -0.2972(13) 0.4124(9) 0.045(4) Uiso 1 1 d . . .
C23 C 0.3519(18) -0.4204(17) 0.3864(12) 0.081(6) Uiso 1 1 d . . .
C24 C 0.3541(12) 0.0277(12) 0.3569(8) 0.039(4) Uiso 1 1 d . . .
C25 C 0.2977(13) 0.0700(12) 0.3670(8) 0.044(4) Uiso 1 1 d . . .
C26 C 0.2183(12) 0.1111(11) 0.3880(7) 0.064(5) Uiso 1 1 d D . .
C27 C 0.5603(13) -0.0611(12) 0.2512(9) 0.046(4) Uiso 1 1 d . . .
C28 C 0.6124(13) -0.1102(13) 0.2513(9) 0.047(4) Uiso 1 1 d . D .
C29 C 0.6766(12) -0.1739(11) 0.2486(7) 0.056(5) Uiso 1 1 d D . .
C30 C 0.972(2) 0.2649(18) 1.0942(13) 0.116(9) Uiso 1 1 d . . .
H30A H 1.0508 0.3019 1.1111 0.174 Uiso 1 1 calc R . .
H30B H 0.9441 0.3084 1.1200 0.174 Uiso 1 1 calc R . .
H30C H 0.9496 0.2555 1.0410 0.174 Uiso 1 1 calc R . .
C31 C 0.964(2) 0.083(2) 1.0682(15) 0.139(10) Uiso 1 1 d . . .
H31A H 1.0431 0.1187 1.0831 0.208 Uiso 1 1 calc R . .
H31B H 0.9389 0.0728 1.0152 0.208 Uiso 1 1 calc R . .
H31C H 0.9347 0.0119 1.0790 0.208 Uiso 1 1 calc R . .
C32 C 0.959(2) 0.171(2) 1.2037(14) 0.127(9) Uiso 1 1 d . . .
H32A H 1.0381 0.2095 1.2222 0.191 Uiso 1 1 calc R . .
H32B H 0.9300 0.1005 1.2150 0.191 Uiso 1 1 calc R . .
H32C H 0.9291 0.2135 1.2274 0.191 Uiso 1 1 calc R . .
C33 C 0.125(2) -0.465(5) 0.986(4) 0.080(5) Uiso 0.42(4) 1 d PD A 1
H33A H 0.1129 -0.4195 0.9564 0.119 Uiso 0.42(4) 1 calc PR A 1
H33B H 0.1158 -0.4453 1.0351 0.119 Uiso 0.42(4) 1 calc PR A 1
H33C H 0.0727 -0.5412 0.9618 0.119 Uiso 0.42(4) 1 calc PR A 1
C34 C 0.288(4) -0.509(4) 1.037(3) 0.080(5) Uiso 0.42(4) 1 d PD A 1
H34A H 0.3628 -0.4865 1.0353 0.119 Uiso 0.42(4) 1 calc PR A 1
H34B H 0.2434 -0.5871 1.0153 0.119 Uiso 0.42(4) 1 calc PR A 1
H34C H 0.2856 -0.4914 1.0887 0.119 Uiso 0.42(4) 1 calc PR A 1
C35 C 0.239(4) -0.495(4) 0.9117(14) 0.080(5) Uiso 0.42(4) 1 d PD A 1
H35A H 0.2107 -0.4627 0.8787 0.119 Uiso 0.42(4) 1 calc PR A 1
H35B H 0.1919 -0.5739 0.8973 0.119 Uiso 0.42(4) 1 calc PR A 1
H35C H 0.3123 -0.4790 0.9084 0.119 Uiso 0.42(4) 1 calc PR A 1
C33' C 0.129(2) -0.455(4) 0.969(3) 0.080(5) Uiso 0.58(4) 1 d PD A 2
H33D H 0.1227 -0.4325 0.9237 0.119 Uiso 0.58(4) 1 calc PR A 2
H33E H 0.1213 -0.4070 1.0084 0.119 Uiso 0.58(4) 1 calc PR A 2
H33F H 0.0722 -0.5295 0.9614 0.119 Uiso 0.58(4) 1 calc PR A 2
C34' C 0.258(3) -0.482(3) 1.0661(14) 0.080(5) Uiso 0.58(4) 1 d PD A 2
H34D H 0.3291 -0.4790 1.0782 0.119 Uiso 0.58(4) 1 calc PR A 2
H34E H 0.2012 -0.5565 1.0596 0.119 Uiso 0.58(4) 1 calc PR A 2
H34F H 0.2539 -0.4332 1.1063 0.119 Uiso 0.58(4) 1 calc PR A 2
C35' C 0.273(3) -0.508(3) 0.9319(19) 0.080(5) Uiso 0.58(4) 1 d PD A 2
H35D H 0.2624 -0.4862 0.8866 0.119 Uiso 0.58(4) 1 calc PR A 2
H35E H 0.2268 -0.5867 0.9221 0.119 Uiso 0.58(4) 1 calc PR A 2
H35F H 0.3491 -0.4903 0.9487 0.119 Uiso 0.58(4) 1 calc PR A 2
C36 C 0.526(3) -0.374(3) 0.912(3) 0.084(6) Uiso 0.408(18) 1 d PD B 1
H36A H 0.4952 -0.3438 0.9455 0.127 Uiso 0.408(18) 1 calc PR B 1
H36B H 0.5614 -0.4088 0.9376 0.127 Uiso 0.408(18) 1 calc PR B 1
H36C H 0.4684 -0.4278 0.8689 0.127 Uiso 0.408(18) 1 calc PR B 1
C37 C 0.703(3) -0.216(4) 0.9599(17) 0.084(6) Uiso 0.408(18) 1 d PD B 1
H37A H 0.7643 -0.1559 0.9509 0.127 Uiso 0.408(18) 1 calc PR B 1
H37B H 0.7279 -0.2641 0.9779 0.127 Uiso 0.408(18) 1 calc PR B 1
H37C H 0.6752 -0.1881 0.9970 0.127 Uiso 0.408(18) 1 calc PR B 1
C38 C 0.682(2) -0.288(3) 0.8323(16) 0.084(6) Uiso 0.592(18) 1 d PD B 1
H38A H 0.7276 -0.2161 0.8272 0.127 Uiso 0.592(18) 1 calc PR B 1
H38B H 0.6341 -0.3360 0.7839 0.127 Uiso 0.592(18) 1 calc PR B 1
H38C H 0.7275 -0.3179 0.8519 0.127 Uiso 0.592(18) 1 calc PR B 1
C36' C 0.523(2) -0.3998(14) 0.8433(19) 0.084(6) Uiso 0.592(18) 1 d PD B 2
H36D H 0.5114 -0.4068 0.7902 0.127 Uiso 0.592(18) 1 calc PR B 2
H36E H 0.4555 -0.4162 0.8571 0.127 Uiso 0.592(18) 1 calc PR B 2
H36F H 0.5480 -0.4505 0.8558 0.127 Uiso 0.592(18) 1 calc PR B 2
C37' C 0.625(3) -0.279(3) 0.9699(9) 0.084(6) Uiso 0.592(18) 1 d PD B 2
H37D H 0.5543 -0.3072 0.9805 0.127 Uiso 0.592(18) 1 calc PR B 2
H37E H 0.6727 -0.2050 1.0003 0.127 Uiso 0.592(18) 1 calc PR B 2
H37F H 0.6574 -0.3250 0.9811 0.127 Uiso 0.592(18) 1 calc PR B 2
C38' C 0.723(2) -0.238(4) 0.866(3) 0.084(6) Uiso 0.408(18) 1 d PD B 2
H38D H 0.7120 -0.2404 0.8139 0.127 Uiso 0.408(18) 1 calc PR B 2
H38E H 0.7561 -0.2829 0.8772 0.127 Uiso 0.408(18) 1 calc PR B 2
H38F H 0.7713 -0.1629 0.8958 0.127 Uiso 0.408(18) 1 calc PR B 2
C39 C 0.0393(17) -0.3719(16) 0.4795(12) 0.095(7) Uiso 1 1 d . . .
H39A H -0.0379 -0.4242 0.4678 0.142 Uiso 1 1 calc R . .
H39B H 0.0782 -0.3806 0.5230 0.142 Uiso 1 1 calc R . .
H39C H 0.0680 -0.3844 0.4376 0.142 Uiso 1 1 calc R . .
C40 C -0.005(2) -0.240(2) 0.4243(14) 0.134(10) Uiso 1 1 d . . .
H40A H -0.0825 -0.2916 0.4113 0.201 Uiso 1 1 calc R . .
H40B H 0.0255 -0.2527 0.3834 0.201 Uiso 1 1 calc R . .
H40C H 0.0051 -0.1660 0.4339 0.201 Uiso 1 1 calc R . .
C41 C 0.0088(18) -0.2359(18) 0.5633(12) 0.102(8) Uiso 1 1 d . . .
H41A H -0.0683 -0.2884 0.5515 0.153 Uiso 1 1 calc R . .
H41B H 0.0181 -0.1624 0.5743 0.153 Uiso 1 1 calc R . .
H41C H 0.0480 -0.2452 0.6064 0.153 Uiso 1 1 calc R . .
C42 C 0.2367(19) -0.4678(19) 0.4036(14) 0.118(9) Uiso 1 1 d . . .
H42A H 0.2458 -0.4417 0.4564 0.176 Uiso 1 1 calc R . .
H42B H 0.2014 -0.5471 0.3896 0.176 Uiso 1 1 calc R . .
H42C H 0.1918 -0.4440 0.3753 0.176 Uiso 1 1 calc R . .
C43 C 0.424(2) -0.463(2) 0.4254(17) 0.174(13) Uiso 1 1 d . . .
H43A H 0.4418 -0.4337 0.4790 0.261 Uiso 1 1 calc R . .
H43B H 0.4903 -0.4392 0.4091 0.261 Uiso 1 1 calc R . .
H43C H 0.3839 -0.5420 0.4129 0.261 Uiso 1 1 calc R . .
C44 C 0.326(2) -0.466(2) 0.3107(16) 0.151(11) Uiso 1 1 d . . .
H44A H 0.2900 -0.5449 0.3005 0.227 Uiso 1 1 calc R . .
H44B H 0.3924 -0.4405 0.2940 0.227 Uiso 1 1 calc R . .
H44C H 0.2774 -0.4439 0.2846 0.227 Uiso 1 1 calc R . .
C45 C 0.1108(18) 0.033(2) 0.3265(17) 0.079(5) Uiso 0.546(18) 1 d PD C 1
H45A H 0.1239 0.0380 0.2779 0.118 Uiso 0.546(18) 1 calc PR C 1
H45B H 0.0551 0.0534 0.3332 0.118 Uiso 0.546(18) 1 calc PR C 1
H45C H 0.0863 -0.0416 0.3299 0.118 Uiso 0.546(18) 1 calc PR C 1
C46 C 0.253(3) 0.213(2) 0.357(2) 0.079(5) Uiso 0.546(18) 1 d PD C 1
H46A H 0.2514 0.1929 0.3050 0.118 Uiso 0.546(18) 1 calc PR C 1
H46B H 0.3268 0.2684 0.3851 0.118 Uiso 0.546(18) 1 calc PR C 1
H46C H 0.2032 0.2423 0.3620 0.118 Uiso 0.546(18) 1 calc PR C 1
C47 C 0.207(3) 0.112(3) 0.4686(11) 0.079(5) Uiso 0.546(18) 1 d PD C 1
H47A H 0.1830 0.0396 0.4754 0.118 Uiso 0.546(18) 1 calc PR C 1
H47B H 0.1539 0.1358 0.4772 0.118 Uiso 0.546(18) 1 calc PR C 1
H47C H 0.2774 0.1627 0.5037 0.118 Uiso 0.546(18) 1 calc PR C 1
C45' C 0.1042(19) 0.015(2) 0.381(3) 0.079(5) Uiso 0.454(18) 1 d PD C 2
H45D H 0.0752 -0.0335 0.3311 0.118 Uiso 0.454(18) 1 calc PR C 2
H45E H 0.0550 0.0427 0.3914 0.118 Uiso 0.454(18) 1 calc PR C 2
H45F H 0.1110 -0.0260 0.4167 0.118 Uiso 0.454(18) 1 calc PR C 2
C46' C 0.202(4) 0.173(3) 0.331(2) 0.079(5) Uiso 0.454(18) 1 d PD C 2
H46D H 0.2712 0.2358 0.3344 0.118 Uiso 0.454(18) 1 calc PR C 2
H46E H 0.1500 0.1976 0.3410 0.118 Uiso 0.454(18) 1 calc PR C 2
H46F H 0.1737 0.1247 0.2808 0.118 Uiso 0.454(18) 1 calc PR C 2
C47' C 0.278(3) 0.199(3) 0.4639(14) 0.079(5) Uiso 0.454(18) 1 d PD C 2
H47D H 0.3477 0.2545 0.4609 0.118 Uiso 0.454(18) 1 calc PR C 2
H47E H 0.2898 0.1646 0.5025 0.118 Uiso 0.454(18) 1 calc PR C 2
H47F H 0.2332 0.2320 0.4757 0.118 Uiso 0.454(18) 1 calc PR C 2
C48 C 0.7809(19) -0.099(3) 0.3134(15) 0.082(5) Uiso 0.523(14) 1 d PD D 1
H48A H 0.8273 -0.1332 0.3177 0.123 Uiso 0.523(14) 1 calc PR D 1
H48B H 0.7602 -0.0892 0.3596 0.123 Uiso 0.523(14) 1 calc PR D 1
H48C H 0.8204 -0.0289 0.3035 0.123 Uiso 0.523(14) 1 calc PR D 1
C49 C 0.685(3) -0.210(3) 0.1688(11) 0.082(5) Uiso 0.523(14) 1 d PD D 1
H49A H 0.7265 -0.2495 0.1695 0.123 Uiso 0.523(14) 1 calc PR D 1
H49B H 0.7227 -0.1458 0.1511 0.123 Uiso 0.523(14) 1 calc PR D 1
H49C H 0.6127 -0.2568 0.1358 0.123 Uiso 0.523(14) 1 calc PR D 1
C50 C 0.616(3) -0.268(2) 0.284(2) 0.082(5) Uiso 0.523(14) 1 d PD D 1
H50A H 0.6520 -0.3125 0.2850 0.123 Uiso 0.523(14) 1 calc PR D 1
H50B H 0.5409 -0.3125 0.2549 0.123 Uiso 0.523(14) 1 calc PR D 1
H50C H 0.6182 -0.2371 0.3346 0.123 Uiso 0.523(14) 1 calc PR D 1
C49' C 0.770(3) -0.118(3) 0.212(2) 0.082(5) Uiso 0.477(14) 1 d PD D 2
H49D H 0.8121 -0.1571 0.2099 0.123 Uiso 0.477(14) 1 calc PR D 2
H49E H 0.8182 -0.0429 0.2409 0.123 Uiso 0.477(14) 1 calc PR D 2
H49F H 0.7398 -0.1192 0.1617 0.123 Uiso 0.477(14) 1 calc PR D 2
C48' C 0.706(4) -0.195(4) 0.3252(13) 0.082(5) Uiso 0.477(14) 1 d PD D 2
H48D H 0.7472 -0.2346 0.3219 0.123 Uiso 0.477(14) 1 calc PR D 2
H48E H 0.6399 -0.2373 0.3391 0.123 Uiso 0.477(14) 1 calc PR D 2
H48F H 0.7508 -0.1254 0.3626 0.123 Uiso 0.477(14) 1 calc PR D 2
C50' C 0.604(3) -0.2872(19) 0.1917(19) 0.082(5) Uiso 0.477(14) 1 d PD D 2
H50D H 0.6432 -0.3282 0.1897 0.123 Uiso 0.477(14) 1 calc PR D 2
H50E H 0.5840 -0.2772 0.1428 0.123 Uiso 0.477(14) 1 calc PR D 2
H50F H 0.5376 -0.3270 0.2070 0.123 Uiso 0.477(14) 1 calc PR D 2
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'
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'
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
C21 Ag1 C18 167.6(6) . 2_656
C21 Ag1 Ag6 127.9(4) . 2_656
C18 Ag1 Ag6 54.8(5) 2_656 2_656
C21 Ag1 Ag2 83.5(4) . .
C18 Ag1 Ag2 104.7(5) 2_656 .
Ag6 Ag1 Ag2 125.18(6) 2_656 .
C21 Ag1 Ag9 50.6(4) . .
C18 Ag1 Ag9 127.4(5) 2_656 .
Ag6 Ag1 Ag9 78.14(5) 2_656 .
Ag2 Ag1 Ag9 122.39(6) . .
C21 Ag1 Ag6 49.4(4) . .
C18 Ag1 Ag6 143.1(5) 2_656 .
Ag6 Ag1 Ag6 106.89(5) 2_656 .
Ag2 Ag1 Ag6 56.62(4) . .
Ag9 Ag1 Ag6 66.54(5) . .
C21 Ag1 Ag11 140.2(4) . 2_656
C18 Ag1 Ag11 44.8(5) 2_656 2_656
Ag6 Ag1 Ag11 89.15(6) 2_656 2_656
Ag2 Ag1 Ag11 60.66(5) . 2_656
Ag9 Ag1 Ag11 165.89(6) . 2_656
Ag6 Ag1 Ag11 112.33(5) . 2_656
C21 Ag1 Ag9 120.3(4) . 2_656
C18 Ag1 Ag9 72.2(5) 2_656 2_656
Ag6 Ag1 Ag9 65.64(5) 2_656 2_656
Ag2 Ag1 Ag9 59.56(4) . 2_656
Ag9 Ag1 Ag9 111.09(5) . 2_656
Ag6 Ag1 Ag9 70.93(5) . 2_656
Ag11 Ag1 Ag9 57.15(5) 2_656 2_656
C24 Ag2 C27 161.3(6) . .
C24 Ag2 O1 102.4(5) . .
C27 Ag2 O1 93.3(5) . .
C24 Ag2 Ag4 115.5(4) . 2_656
C27 Ag2 Ag4 48.6(4) . 2_656
O1 Ag2 Ag4 108.7(3) . 2_656
C24 Ag2 Ag6 58.5(4) . .
C27 Ag2 Ag6 137.8(4) . .
O1 Ag2 Ag6 71.6(3) . .
Ag4 Ag2 Ag6 173.44(6) 2_656 .
C24 Ag2 Ag7 56.5(4) . 2_656
C27 Ag2 Ag7 108.7(4) . 2_656
O1 Ag2 Ag7 110.0(3) . 2_656
Ag4 Ag2 Ag7 60.12(5) 2_656 2_656
Ag6 Ag2 Ag7 113.44(6) . 2_656
C24 Ag2 Ag1 97.3(4) . .
C27 Ag2 Ag1 86.5(4) . .
O1 Ag2 Ag1 110.0(3) . .
Ag4 Ag2 Ag1 121.05(6) 2_656 .
Ag6 Ag2 Ag1 64.06(5) . .
Ag7 Ag2 Ag1 135.98(6) 2_656 .
C24 Ag2 Ag10 124.6(4) . .
C27 Ag2 Ag10 61.2(4) . .
O1 Ag2 Ag10 45.7(3) . .
Ag4 Ag2 Ag10 63.10(5) 2_656 .
Ag6 Ag2 Ag10 117.23(6) . .
Ag7 Ag2 Ag10 89.33(6) 2_656 .
Ag1 Ag2 Ag10 132.60(6) . .
C24 Ag2 Ag11 105.4(4) . 2_656
C27 Ag2 Ag11 60.1(4) . 2_656
O1 Ag2 Ag11 151.9(3) . 2_656
Ag4 Ag2 Ag11 61.86(5) 2_656 2_656
Ag6 Ag2 Ag11 121.00(6) . 2_656
Ag7 Ag2 Ag11 88.67(6) 2_656 2_656
Ag1 Ag2 Ag11 62.91(5) . 2_656
Ag10 Ag2 Ag11 116.92(6) . 2_656
C24 Ag2 Ag9 48.0(4) . 2_656
C27 Ag2 Ag9 119.6(4) . 2_656
O1 Ag2 Ag9 145.4(3) . 2_656
Ag4 Ag2 Ag9 101.78(6) 2_656 2_656
Ag6 Ag2 Ag9 76.25(5) . 2_656
Ag7 Ag2 Ag9 71.52(6) 2_656 2_656
Ag1 Ag2 Ag9 65.23(5) . 2_656
Ag10 Ag2 Ag9 160.26(6) . 2_656
Ag11 Ag2 Ag9 59.52(5) 2_656 2_656
C12 Ag3 C9 167.7(6) . .
C12 Ag3 Ag5 55.7(4) . .
C9 Ag3 Ag5 125.8(4) . .
C12 Ag3 Ag4 103.8(4) . 2_657
C9 Ag3 Ag4 85.0(4) . 2_657
Ag5 Ag3 Ag4 125.32(6) . 2_657
C12 Ag3 Ag8 128.5(4) . .
C9 Ag3 Ag8 48.6(4) . .
Ag5 Ag3 Ag8 77.90(5) . .
Ag4 Ag3 Ag8 122.07(6) 2_657 .
C12 Ag3 Ag5 142.6(4) . 2_657
C9 Ag3 Ag5 49.5(4) . 2_657
Ag5 Ag3 Ag5 106.48(5) . 2_657
Ag4 Ag3 Ag5 56.83(4) 2_657 2_657
Ag8 Ag3 Ag5 66.04(5) . 2_657
C12 Ag3 Ag10 43.5(4) . 1_556
C9 Ag3 Ag10 142.4(4) . 1_556
Ag5 Ag3 Ag10 89.22(6) . 1_556
Ag4 Ag3 Ag10 61.11(5) 2_657 1_556
Ag8 Ag3 Ag10 165.77(6) . 1_556
Ag5 Ag3 Ag10 112.89(5) 2_657 1_556
C12 Ag3 Ag8 71.7(4) . 2_657
C9 Ag3 Ag8 120.5(4) . 2_657
Ag5 Ag3 Ag8 65.29(5) . 2_657
Ag4 Ag3 Ag8 60.04(4) 2_657 2_657
Ag8 Ag3 Ag8 110.48(5) . 2_657
Ag5 Ag3 Ag8 70.95(5) 2_657 2_657
Ag10 Ag3 Ag8 57.69(5) 1_556 2_657
C15 Ag4 C27 159.0(6) . 2_656
C15 Ag4 O5 103.1(5) . .
C27 Ag4 O5 93.9(5) 2_656 .
C15 Ag4 Ag2 113.9(4) . 2_656
C27 Ag4 Ag2 47.4(4) 2_656 2_656
O5 Ag4 Ag2 109.6(3) . 2_656
C15 Ag4 Ag7 54.7(4) . .
C27 Ag4 Ag7 107.9(4) 2_656 .
O5 Ag4 Ag7 110.4(3) . .
Ag2 Ag4 Ag7 60.45(5) 2_656 .
C15 Ag4 Ag5 60.0(4) . .
C27 Ag4 Ag5 139.1(4) 2_656 .
O5 Ag4 Ag5 70.8(3) . .
Ag2 Ag4 Ag5 173.34(6) 2_656 .
Ag7 Ag4 Ag5 113.01(6) . .
C15 Ag4 Ag3 98.2(4) . 2_657
C27 Ag4 Ag3 87.4(4) 2_656 2_657
O5 Ag4 Ag3 109.5(3) . 2_657
Ag2 Ag4 Ag3 120.75(6) 2_656 2_657
Ag7 Ag4 Ag3 135.79(6) . 2_657
Ag5 Ag4 Ag3 64.39(5) . 2_657
C15 Ag4 Ag11 124.5(4) . .
C27 Ag4 Ag11 60.5(4) 2_656 .
O5 Ag4 Ag11 46.8(3) . .
Ag2 Ag4 Ag11 62.93(5) 2_656 .
Ag7 Ag4 Ag11 89.43(6) . .
Ag5 Ag4 Ag11 117.47(6) . .
Ag3 Ag4 Ag11 132.62(6) 2_657 .
C15 Ag4 Ag10 104.5(4) . 2_656
C27 Ag4 Ag10 60.2(4) 2_656 2_656
O5 Ag4 Ag10 152.2(3) . 2_656
Ag2 Ag4 Ag10 61.69(5) 2_656 2_656
Ag7 Ag4 Ag10 88.73(6) . 2_656
Ag5 Ag4 Ag10 121.15(6) . 2_656
Ag3 Ag4 Ag10 62.79(5) 2_657 2_656
Ag11 Ag4 Ag10 116.63(6) . 2_656
C15 Ag4 Ag8 47.4(4) . .
C27 Ag4 Ag8 119.9(4) 2_656 .
O5 Ag4 Ag8 144.5(3) . .
Ag2 Ag4 Ag8 101.94(6) 2_656 .
Ag7 Ag4 Ag8 71.44(6) . .
Ag5 Ag4 Ag8 76.00(5) . .
Ag3 Ag4 Ag8 65.13(5) 2_657 .
Ag11 Ag4 Ag8 160.25(6) . .
Ag10 Ag4 Ag8 59.72(5) 2_656 .
O6 Ag5 C9 104.3(5) . 2_657
O6 Ag5 C12 114.3(5) . .
C9 Ag5 C12 108.9(5) 2_657 .
O6 Ag5 C15 96.5(5) . .
C9 Ag5 C15 122.1(5) 2_657 .
C12 Ag5 C15 110.3(5) . .
O6 Ag5 Ag3 153.9(3) . .
C9 Ag5 Ag3 98.4(4) 2_657 .
C12 Ag5 Ag3 44.5(4) . .
C15 Ag5 Ag3 81.9(3) . .
O6 Ag5 Ag4 89.4(3) . .
C9 Ag5 Ag4 82.0(4) 2_657 .
C12 Ag5 Ag4 149.2(4) . .
C15 Ag5 Ag4 44.4(4) . .
Ag3 Ag5 Ag4 106.56(6) . .
O6 Ag5 Ag3 132.4(3) . 2_657
C9 Ag5 Ag3 42.5(4) 2_657 2_657
C12 Ag5 Ag3 109.6(3) . 2_657
C15 Ag5 Ag3 84.5(3) . 2_657
Ag3 Ag5 Ag3 73.52(5) . 2_657
Ag4 Ag5 Ag3 58.78(4) . 2_657
O6 Ag5 Ag8 129.5(3) . 2_657
C9 Ag5 Ag8 42.6(4) 2_657 2_657
C12 Ag5 Ag8 67.1(3) . 2_657
C15 Ag5 Ag8 131.9(3) . 2_657
Ag3 Ag5 Ag8 63.03(5) . 2_657
Ag4 Ag5 Ag8 113.68(6) . 2_657
Ag3 Ag5 Ag8 55.58(4) 2_657 2_657
O2 Ag6 C21 106.2(5) . .
O2 Ag6 C18 113.1(5) . .
C21 Ag6 C18 111.0(5) . .
O2 Ag6 C24 96.1(5) . .
C21 Ag6 C24 121.3(5) . .
C18 Ag6 C24 108.3(5) . .
O2 Ag6 Ag1 152.5(3) . 2_656
C21 Ag6 Ag1 98.3(4) . 2_656
C18 Ag6 Ag1 44.3(3) . 2_656
C24 Ag6 Ag1 81.2(3) . 2_656
O2 Ag6 Ag2 90.2(3) . .
C21 Ag6 Ag2 80.2(4) . .
C18 Ag6 Ag2 148.4(4) . .
C24 Ag6 Ag2 45.5(3) . .
Ag1 Ag6 Ag2 106.28(6) 2_656 .
O2 Ag6 Ag1 134.2(3) . .
C21 Ag6 Ag1 40.6(4) . .
C18 Ag6 Ag1 109.4(4) . .
C24 Ag6 Ag1 85.8(3) . .
Ag1 Ag6 Ag1 73.11(5) 2_656 .
Ag2 Ag6 Ag1 59.31(4) . .
C15 Ag7 O4 98.4(5) . .
C15 Ag7 O7 91.7(5) . .
O4 Ag7 O7 137.8(5) . .
C15 Ag7 C24 149.4(5) . 2_656
O4 Ag7 C24 93.0(5) . 2_656
O7 Ag7 C24 98.7(5) . 2_656
C15 Ag7 C25 175.6(5) . 2_656
O4 Ag7 C25 84.0(5) . 2_656
O7 Ag7 C25 89.0(5) . 2_656
C24 Ag7 C25 26.2(4) 2_656 2_656
C15 Ag7 Ag4 45.4(4) . .
O4 Ag7 Ag4 105.0(3) . .
O7 Ag7 Ag4 111.0(4) . .
C24 Ag7 Ag4 104.3(3) 2_656 .
C25 Ag7 Ag4 130.4(3) 2_656 .
C15 Ag7 Ag2 103.8(4) . 2_656
O4 Ag7 Ag2 111.5(4) . 2_656
O7 Ag7 Ag2 105.5(4) . 2_656
C24 Ag7 Ag2 45.7(3) 2_656 2_656
C25 Ag7 Ag2 71.8(3) 2_656 2_656
Ag4 Ag7 Ag2 59.43(4) . 2_656
C9 Ag8 C15 124.9(5) . .
C9 Ag8 O8 116.2(5) . .
C15 Ag8 O8 116.0(5) . .
C9 Ag8 Ag3 44.1(4) . .
C15 Ag8 Ag3 83.8(4) . .
O8 Ag8 Ag3 160.0(4) . .
C9 Ag8 Ag10 124.8(4) . 2_656
C15 Ag8 Ag10 99.4(4) . 2_656
O8 Ag8 Ag10 54.6(4) . 2_656
Ag3 Ag8 Ag10 128.14(7) . 2_656
C9 Ag8 Ag4 138.5(4) . .
C15 Ag8 Ag4 41.8(4) . .
O8 Ag8 Ag4 99.3(3) . .
Ag3 Ag8 Ag4 97.74(6) . .
Ag10 Ag8 Ag4 59.90(5) 2_656 .
C9 Ag8 Ag3 90.3(4) . 2_657
C15 Ag8 Ag3 85.4(4) . 2_657
O8 Ag8 Ag3 112.6(4) . 2_657
Ag3 Ag8 Ag3 69.52(5) . 2_657
Ag10 Ag8 Ag3 59.32(5) 2_656 2_657
Ag4 Ag8 Ag3 54.82(4) . 2_657
C9 Ag8 Ag5 45.1(4) . 2_657
C15 Ag8 Ag5 129.1(4) . 2_657
O8 Ag8 Ag5 106.2(4) . 2_657
Ag3 Ag8 Ag5 58.38(5) . 2_657
Ag10 Ag8 Ag5 82.41(6) 2_656 2_657
Ag4 Ag8 Ag5 106.50(6) . 2_657
Ag3 Ag8 Ag5 51.68(4) 2_657 2_657
C24 Ag9 C21 121.2(5) 2_656 .
C24 Ag9 O3 117.7(5) 2_656 .
C21 Ag9 O3 118.5(5) . .
C24 Ag9 Ag1 82.0(4) 2_656 .
C21 Ag9 Ag1 42.2(4) . .
O3 Ag9 Ag1 160.2(3) . .
C24 Ag9 Ag11 101.0(4) 2_656 .
C21 Ag9 Ag11 124.9(4) . .
O3 Ag9 Ag11 54.3(3) . .
Ag1 Ag9 Ag11 127.86(7) . .
C24 Ag9 Ag2 42.8(4) 2_656 2_656
C21 Ag9 Ag2 136.5(4) . 2_656
O3 Ag9 Ag2 98.9(3) . 2_656
Ag1 Ag9 Ag2 97.54(6) . 2_656
Ag11 Ag9 Ag2 60.08(5) . 2_656
C24 Ag9 Ag1 85.4(4) 2_656 2_656
C21 Ag9 Ag1 88.4(4) . 2_656
O3 Ag9 Ag1 112.6(3) . 2_656
Ag1 Ag9 Ag1 68.91(5) . 2_656
Ag11 Ag9 Ag1 59.64(5) . 2_656
Ag2 Ag9 Ag1 55.22(4) 2_656 2_656
C12 Ag10 O1 154.3(5) 1_554 .
C12 Ag10 C13 27.5(5) 1_554 1_554
O1 Ag10 C13 127.7(5) . 1_554
C12 Ag10 Ag2 148.1(4) 1_554 .
O1 Ag10 Ag2 52.8(3) . .
C13 Ag10 Ag2 166.8(4) 1_554 .
C12 Ag10 Ag8 74.1(4) 1_554 2_656
O1 Ag10 Ag8 126.5(3) . 2_656
C13 Ag10 Ag8 91.1(3) 1_554 2_656
Ag2 Ag10 Ag8 97.85(6) . 2_656
C12 Ag10 Ag4 95.6(4) 1_554 2_656
O1 Ag10 Ag4 107.9(3) . 2_656
C13 Ag10 Ag4 123.1(3) 1_554 2_656
Ag2 Ag10 Ag4 55.21(4) . 2_656
Ag8 Ag10 Ag4 60.38(5) 2_656 2_656
C12 Ag10 Ag3 40.2(4) 1_554 1_554
O1 Ag10 Ag3 157.3(3) . 1_554
C13 Ag10 Ag3 67.2(3) 1_554 1_554
Ag2 Ag10 Ag3 108.39(6) . 1_554
Ag8 Ag10 Ag3 62.99(5) 2_656 1_554
Ag4 Ag10 Ag3 56.10(4) 2_656 1_554
C18 Ag11 O5 154.5(5) . .
C18 Ag11 O3 103.0(5) . .
O5 Ag11 O3 86.0(4) . .
C18 Ag11 C19 29.0(3) . .
O5 Ag11 C19 126.4(4) . .
O3 Ag11 C19 100.4(4) . .
C18 Ag11 Ag4 147.9(4) . .
O5 Ag11 Ag4 52.7(3) . .
O3 Ag11 Ag4 93.1(3) . .
C19 Ag11 Ag4 166.4(3) . .
C18 Ag11 Ag9 74.3(4) . .
O5 Ag11 Ag9 126.4(3) . .
O3 Ag11 Ag9 47.9(3) . .
C19 Ag11 Ag9 92.4(3) . .
Ag4 Ag11 Ag9 97.75(6) . .
C18 Ag11 Ag2 95.4(4) . 2_656
O5 Ag11 Ag2 107.8(3) . 2_656
O3 Ag11 Ag2 94.5(3) . 2_656
C19 Ag11 Ag2 124.4(3) . 2_656
Ag4 Ag11 Ag2 55.20(4) . 2_656
Ag9 Ag11 Ag2 60.40(5) . 2_656
C18 Ag11 Ag1 39.6(4) . 2_656
O5 Ag11 Ag1 157.3(3) . 2_656
O3 Ag11 Ag1 109.9(3) . 2_656
C19 Ag11 Ag1 68.1(3) . 2_656
Ag4 Ag11 Ag1 108.72(6) . 2_656
Ag9 Ag11 Ag1 63.21(5) . 2_656
Ag2 Ag11 Ag1 56.43(4) 2_656 2_656
C1 O1 Ag10 139.5(11) . .
C1 O1 Ag2 123.7(10) . .
Ag10 O1 Ag2 81.5(4) . .
C1 O2 Ag6 115.8(12) . .
C3 O3 Ag9 108.0(13) . .
C3 O3 Ag11 137.3(13) . .
Ag9 O3 Ag11 77.8(4) . .
C3 O4 Ag7 123.2(13) . .
C5 O5 Ag11 136.3(11) . .
C5 O5 Ag4 126.8(12) . .
Ag11 O5 Ag4 80.6(3) . .
C5 O6 Ag5 117.8(12) . .
C7 O7 Ag7 123.4(15) . .
C7 O8 Ag8 105.8(14) . .
O2 C1 O1 128.3(16) . .
O2 C1 C2 114.6(18) . .
O1 C1 C2 116.7(17) . .
O3 C3 O4 129(2) . .
O3 C3 C4 119(2) . .
O4 C3 C4 112(2) . .
O6 C5 O5 124.3(17) . .
O6 C5 C6 117.8(18) . .
O5 C5 C6 117.0(18) . .
O8 C7 O7 130(2) . .
O8 C7 C8 115(2) . .
O7 C7 C8 115(2) . .
C10 C9 Ag3 157.7(14) . .
C10 C9 Ag8 100.6(12) . .
Ag3 C9 Ag8 87.3(6) . .
C10 C9 Ag5 112.2(12) . 2_657
Ag3 C9 Ag5 88.0(6) . 2_657
Ag8 C9 Ag5 92.3(5) . 2_657
C9 C10 C11 175.0(18) . .
C10 C11 C31 106.8(17) . .
C10 C11 C30 110.7(17) . .
C31 C11 C30 109.4(19) . .
C10 C11 C32 107.7(16) . .
C31 C11 C32 113.7(19) . .
C30 C11 C32 108.5(17) . .
C13 C12 Ag3 164.1(14) . .
C13 C12 Ag10 92.9(12) . 1_556
Ag3 C12 Ag10 96.4(6) . 1_556
C13 C12 Ag5 102.7(12) . .
Ag3 C12 Ag5 79.9(5) . .
Ag10 C12 Ag5 134.5(7) 1_556 .
C12 C13 C14 177.2(17) . .
C12 C13 Ag10 59.6(10) . 1_556
C14 C13 Ag10 122.8(9) . 1_556
C34' C14 C34 33(2) . .
C34' C14 C33 98(3) . .
C34 C14 C33 122(3) . .
C34' C14 C33' 112(2) . .
C34 C14 C33' 135(3) . .
C33 C14 C33' 14(4) . .
C34' C14 C35' 111(2) . .
C34 C14 C35' 79(2) . .
C33 C14 C35' 123(3) . .
C33' C14 C35' 115(3) . .
C34' C14 C35 133(3) . .
C34 C14 C35 103(3) . .
C33 C14 C35 103(3) . .
C33' C14 C35 93(3) . .
C35' C14 C35 25(2) . .
C34' C14 C13 103.5(17) . .
C34 C14 C13 110(2) . .
C33 C14 C13 110(3) . .
C33' C14 C13 105(2) . .
C35' C14 C13 109.3(18) . .
C35 C14 C13 108(2) . .
C16 C15 Ag4 168.7(14) . .
C16 C15 Ag8 98.8(12) . .
Ag4 C15 Ag8 90.8(6) . .
C16 C15 Ag7 92.8(11) . .
Ag4 C15 Ag7 79.9(5) . .
Ag8 C15 Ag7 97.0(6) . .
C16 C15 Ag5 108.6(12) . .
Ag4 C15 Ag5 75.6(5) . .
Ag8 C15 Ag5 98.7(5) . .
Ag7 C15 Ag5 151.0(7) . .
C15 C16 C17 177.7(17) . .
C36 C17 C37' 59(2) . .
C36 C17 C38' 145(3) . .
C37' C17 C38' 111(3) . .
C36 C17 C38 129(3) . .
C37' C17 C38 132(2) . .
C38' C17 C38 30(2) . .
C36 C17 C37 101(3) . .
C37' C17 C37 43.1(19) . .
C38' C17 C37 72(3) . .
C38 C17 C37 100(3) . .
C36 C17 C36' 49(2) . .
C37' C17 C36' 105(2) . .
C38' C17 C36' 117(3) . .
C38 C17 C36' 88(2) . .
C37 C17 C36' 141(3) . .
C36 C17 C16 109(2) . .
C37' C17 C16 109.1(17) . .
C38' C17 C16 106(2) . .
C38 C17 C16 109.9(17) . .
C37 C17 C16 105(2) . .
C36' C17 C16 108.5(16) . .
C19 C18 Ag1 164.8(14) . 2_656
C19 C18 Ag11 91.3(11) . .
Ag1 C18 Ag11 95.6(6) 2_656 .
C19 C18 Ag6 104.0(12) . .
Ag1 C18 Ag6 80.9(5) 2_656 .
Ag11 C18 Ag6 133.6(7) . .
C18 C19 C20 177.8(18) . .
C18 C19 Ag11 59.7(10) . .
C20 C19 Ag11 122.0(11) . .
C19 C20 C39 109.3(15) . .
C19 C20 C41 109.3(15) . .
C39 C20 C41 108.6(16) . .
C19 C20 C40 108.4(16) . .
C39 C20 C40 109.0(17) . .
C41 C20 C40 112.1(17) . .
C22 C21 Ag1 160.0(14) . .
C22 C21 Ag9 98.2(12) . .
Ag1 C21 Ag9 87.2(6) . .
C22 C21 Ag6 109.0(12) . .
Ag1 C21 Ag6 90.0(6) . .
Ag9 C21 Ag6 91.5(5) . .
C21 C22 C23 174.8(18) . .
C44 C23 C22 117(2) . .
C44 C23 C43 107(2) . .
C22 C23 C43 110(2) . .
C44 C23 C42 103(2) . .
C22 C23 C42 108.9(17) . .
C43 C23 C42 112(2) . .
C25 C24 Ag2 162.7(13) . .
C25 C24 Ag9 99.3(11) . 2_656
Ag2 C24 Ag9 89.2(5) . 2_656
C25 C24 Ag7 86.5(11) . 2_656
Ag2 C24 Ag7 77.8(5) . 2_656
Ag9 C24 Ag7 94.6(5) 2_656 2_656
C25 C24 Ag6 116.9(12) . .
Ag2 C24 Ag6 76.0(4) . .
Ag9 C24 Ag6 99.7(5) 2_656 .
Ag7 C24 Ag6 149.8(6) 2_656 .
C24 C25 C26 170.5(16) . .
C24 C25 Ag7 67.3(10) . 2_656
C26 C25 Ag7 121.9(9) . 2_656
C45' C26 C47' 117(2) . .
C45' C26 C46' 107(3) . .
C47' C26 C46' 105(2) . .
C45' C26 C47 74(2) . .
C47' C26 C47 46.2(18) . .
C46' C26 C47 135(3) . .
C45' C26 C46 132(2) . .
C47' C26 C46 83(2) . .
C46' C26 C46 27(2) . .
C47 C26 C46 124(2) . .
C45' C26 C45 41.9(18) . .
C47' C26 C45 149(2) . .
C46' C26 C45 71(2) . .
C47 C26 C45 114(2) . .
C46 C26 C45 98(2) . .
C45' C26 C25 111.5(19) . .
C47' C26 C25 107.7(19) . .
C46' C26 C25 107(2) . .
C47 C26 C25 113.9(17) . .
C46 C26 C25 101.4(18) . .
C45 C26 C25 102.4(16) . .
C28 C27 Ag2 139.1(14) . .
C28 C27 Ag4 136.9(13) . 2_656
Ag2 C27 Ag4 84.0(6) . 2_656
C27 C28 C29 178.0(17) . .
C28 C29 C49 112.0(17) . .
C28 C29 C48' 111.4(19) . .
C49 C29 C48' 136(2) . .
C28 C29 C50' 108.8(19) . .
C49 C29 C50' 53.0(19) . .
C48' C29 C50' 107(2) . .
C28 C29 C48 102.5(17) . .
C49 C29 C48 121(2) . .
C48' C29 C48 52.6(19) . .
C50' C29 C48 148(2) . .
C28 C29 C49' 108.4(19) . .
C49 C29 C49' 50.5(18) . .
C48' C29 C49' 118(2) . .
C50' C29 C49' 102(2) . .
C48 C29 C49' 74(2) . .
C28 C29 C50 103.8(17) . .
C49 C29 C50 116(2) . .
C48' C29 C50 47.3(19) . .
C50' C29 C50 66(2) . .
C48 C29 C50 100(2) . .
C49' C29 C50 148(2) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 C21 2.046(15) .
Ag1 C18 2.057(14) 2_656
Ag1 Ag6 2.9086(19) 2_656
Ag1 Ag2 3.0042(19) .
Ag1 Ag9 3.043(2) .
Ag1 Ag6 3.142(2) .
Ag1 Ag11 3.210(2) 2_656
Ag1 Ag9 3.321(2) 2_656
Ag2 C24 2.145(15) .
Ag2 C27 2.146(16) .
Ag2 O1 2.503(11) .
Ag2 Ag4 2.8986(18) 2_656
Ag2 Ag6 2.9173(19) .
Ag2 Ag7 2.928(2) 2_656
Ag2 Ag10 3.107(2) .
Ag2 Ag11 3.143(2) 2_656
Ag2 Ag9 3.154(2) 2_656
Ag3 C12 2.075(15) .
Ag3 C9 2.125(16) .
Ag3 Ag5 2.9159(19) .
Ag3 Ag4 2.9841(18) 2_657
Ag3 Ag8 3.048(2) .
Ag3 Ag5 3.146(2) 2_657
Ag3 Ag10 3.198(2) 1_556
Ag3 Ag8 3.312(2) 2_657
Ag4 C15 2.109(16) .
Ag4 C27 2.186(16) 2_656
Ag4 O5 2.509(11) .
Ag4 Ag2 2.8986(18) 2_656
Ag4 Ag7 2.919(2) .
Ag4 Ag5 2.9207(19) .
Ag4 Ag3 2.9841(18) 2_657
Ag4 Ag11 3.113(2) .
Ag4 Ag10 3.148(2) 2_656
Ag4 Ag8 3.163(2) .
Ag5 O6 2.282(11) .
Ag5 C9 2.395(15) 2_657
Ag5 C12 2.447(15) .
Ag5 C15 2.611(16) .
Ag5 Ag3 3.146(2) 2_657
Ag5 Ag8 3.376(2) 2_657
Ag6 O2 2.277(11) .
Ag6 C21 2.384(15) .
Ag6 C18 2.406(16) .
Ag6 C24 2.563(14) .
Ag6 Ag1 2.9086(18) 2_656
Ag7 C15 2.419(15) .
Ag7 O4 2.452(14) .
Ag7 O7 2.469(15) .
Ag7 C24 2.499(14) 2_656
Ag7 C25 2.703(15) 2_656
Ag7 Ag2 2.928(2) 2_656
Ag8 C9 2.287(15) .
Ag8 C15 2.328(15) .
Ag8 O8 2.374(14) .
Ag8 Ag10 3.142(2) 2_656
Ag8 Ag3 3.312(2) 2_657
Ag8 Ag5 3.376(2) 2_657
Ag9 C24 2.343(15) 2_656
Ag9 C21 2.353(15) .
Ag9 O3 2.374(13) .
Ag9 Ag11 3.126(2) .
Ag9 Ag2 3.154(2) 2_656
Ag9 Ag1 3.321(2) 2_656
Ag10 C12 2.213(15) 1_554
Ag10 O1 2.247(13) .
Ag10 C13 2.562(15) 1_554
Ag10 Ag8 3.142(2) 2_656
Ag10 Ag4 3.148(2) 2_656
Ag10 Ag3 3.198(2) 1_554
Ag11 C18 2.272(17) .
Ag11 O5 2.299(11) .
Ag11 O3 2.596(14) .
Ag11 C19 2.631(16) .
Ag11 Ag2 3.143(2) 2_656
Ag11 Ag1 3.210(2) 2_656
O1 C1 1.323(19) .
O2 C1 1.212(18) .
O3 C3 1.21(2) .
O4 C3 1.22(2) .
O5 C5 1.264(19) .
O6 C5 1.23(2) .
O7 C7 1.20(2) .
O8 C7 1.19(2) .
C1 C2 1.54(3) .
C3 C4 1.56(3) .
C5 C6 1.51(3) .
C7 C8 1.57(3) .
C9 C10 1.178(19) .
C9 Ag5 2.395(15) 2_657
C10 C11 1.49(2) .
C11 C31 1.50(3) .
C11 C30 1.53(3) .
C11 C32 1.67(3) .
C12 C13 1.184(18) .
C12 Ag10 2.213(15) 1_556
C13 C14 1.56(2) .
C13 Ag10 2.562(15) 1_556
C14 C34' 1.5350(11) .
C14 C34 1.5349(11) .
C14 C33 1.5350(12) .
C14 C33' 1.5350(12) .
C14 C35' 1.5351(11) .
C14 C35 1.5351(11) .
C15 C16 1.207(19) .
C16 C17 1.54(2) .
C17 C36 1.5350(11) .
C17 C37' 1.5350(11) .
C17 C38' 1.5350(12) .
C17 C38 1.5350(11) .
C17 C37 1.5351(12) .
C17 C36' 1.5351(11) .
C18 C19 1.276(9) .
C18 Ag1 2.057(14) 2_656
C19 C20 1.45(2) .
C20 C39 1.53(2) .
C20 C41 1.53(2) .
C20 C40 1.55(3) .
C21 C22 1.195(18) .
C22 C23 1.49(2) .
C23 C44 1.37(3) .
C23 C43 1.52(3) .
C23 C42 1.56(3) .
C24 C25 1.197(18) .
C24 Ag9 2.343(14) 2_656
C24 Ag7 2.499(14) 2_656
C25 C26 1.53(2) .
C25 Ag7 2.703(15) 2_656
C26 C45' 1.5350(11) .
C26 C47' 1.5350(11) .
C26 C46' 1.5350(11) .
C26 C47 1.5350(11) .
C26 C46 1.5351(11) .
C26 C45 1.5351(11) .
C27 C28 1.205(19) .
C27 Ag4 2.186(16) 2_656
C28 C29 1.52(2) .
C29 C49 1.5349(11) .
C29 C48' 1.5350(11) .
C29 C50' 1.5350(11) .
C29 C48 1.5350(11) .
C29 C49' 1.5351(11) .
C29 C50 1.5351(11) .
