#------------------------------------------------------------------------------
#$Date: 2016-03-25 08:44:41 +0100 (vie 25 de mar de 2016) $
#$Revision: 179732 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/28/7002835.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_7002835
loop_
_publ_author_name
'Jin, Jun-Cheng'
'Wang, Yao-Yu'
'Zhang, Wei-Hong'
'Lermontov, Anatoly S.'
'Lermontova, Elmira Kh.'
'Shi, Qi-Zhen'
_publ_section_title
;
 New types of di-, tetra-, hexa- and octanuclear Ag(i) complexes
 containing 1,3-adamantanedicarboxylic acid
;
_journal_issue                   46
_journal_name_full               'Dalton Transactions'
_journal_page_first              10181
_journal_page_last               10191
_journal_paper_doi               10.1039/b909309e
_journal_year                    2009
_chemical_formula_moiety         'C108 H108 Ag8 N20 O16, 2(C2 H6 O), 6(H2 O)'
_chemical_formula_sum            'C112 H132 Ag8 N20 O24'
_chemical_formula_weight         3005.34
_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                110.220(5)
_cell_angle_beta                 104.945(5)
_cell_angle_gamma                106.456(3)
_cell_formula_units_Z            1
_cell_length_a                   14.555(3)
_cell_length_b                   14.801(3)
_cell_length_c                   15.930(5)
_cell_measurement_reflns_used    1540
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      18.243
_cell_measurement_theta_min      2.346
_cell_volume                     2836.7(12)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.977
_diffrn_measured_fraction_theta_max 0.977
_diffrn_measurement_device_type  'Bruker APEX SMART II'
_diffrn_measurement_method       ω
_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  0.0396
_diffrn_reflns_av_sigmaI/netI    0.1529
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            15535
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.48
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.432
_exptl_absorpt_correction_T_max  0.7928
_exptl_absorpt_correction_T_min  0.6815
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.759
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1512
_exptl_crystal_size_max          0.29
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.17
_refine_diff_density_max         1.401
_refine_diff_density_min         -0.581
_refine_diff_density_rms         0.123
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.788
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     745
_refine_ls_number_reflns         10898
_refine_ls_number_restraints     116
_refine_ls_restrained_S_all      0.826
_refine_ls_R_factor_all          0.1266
_refine_ls_R_factor_gt           0.0536
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0878P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1302
_refine_ls_wR_factor_ref         0.1622
_reflns_number_gt                4413
_reflns_number_total             10898
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b909309e.txt
_cod_data_source_block           xb2552
_cod_original_cell_volume        2836.7(11)
_cod_database_code               7002835
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 0.60297(5) 0.51470(6) 0.55596(6) 0.0585(2) Uani 1 1 d . . .
Ag2 Ag 0.75197(5) 0.15501(5) 0.84295(5) 0.0548(2) Uani 1 1 d . . .
Ag3 Ag 0.88253(6) 0.05556(6) 0.76986(5) 0.0586(2) Uani 1 1 d . . .
Ag4 Ag 0.59646(6) 0.19989(7) 0.92772(6) 0.0753(3) Uani 1 1 d . . .
O1 O 0.9291(5) 0.1679(5) 0.7170(5) 0.075(2) Uani 1 1 d . . .
O2 O 0.7925(6) 0.2026(6) 0.7163(5) 0.087(2) Uani 1 1 d . . .
O3 O 0.6966(5) 0.4099(5) 0.4957(5) 0.084(2) Uani 1 1 d . . .
O4 O 0.7939(5) 0.5394(5) 0.6396(5) 0.085(2) Uani 1 1 d . . .
O5 O 0.5321(7) 0.2328(6) 0.8121(5) 0.087(2) Uani 1 1 d . A .
O6 O 0.4040(9) 0.0989(8) 0.7941(7) 0.077(3) Uani 0.61 1 d PD A 1
O6A O 0.3735(17) 0.2002(18) 0.8418(17) 0.124(8) Uiso 0.39 1 d PD A 2
O7 O 0.4999(5) 0.4205(6) 0.6090(5) 0.080(2) Uani 1 1 d . . .
O8 O 0.3677(6) 0.3418(5) 0.4667(5) 0.087(2) Uani 1 1 d . . .
O9 O 0.3122(14) 0.4241(13) 1.0133(12) 0.235(8) Uani 1 1 d . C .
H9C H 0.3257 0.4472 1.0705 0.282 Uiso 1 1 d R . .
N1 N 0.8911(5) 0.2613(5) 0.9691(5) 0.051(2) Uani 1 1 d . . .
N2 N 0.8309(5) -0.0570(6) 0.8210(5) 0.0472(18) Uani 1 1 d . . .
N3 N 0.8656(6) -0.0839(6) 1.0502(5) 0.059(2) Uani 1 1 d . . .
H3C H 0.8481 -0.1388 1.0598 0.071 Uiso 1 1 calc R . .
N4 N 0.9490(5) 0.0995(7) 1.1268(5) 0.0505(19) Uani 1 1 d . . .
N5 N 1.0435(6) 0.2817(7) 1.2013(6) 0.066(2) Uani 1 1 d . . .
H5C H 1.0914 0.3353 1.2536 0.079 Uiso 1 1 calc R . .
N6 N 0.6129(5) 0.0201(6) 0.7333(5) 0.0479(18) Uani 1 1 d . . .
N7 N 0.6539(6) 0.1502(8) 1.0325(6) 0.069(2) Uani 1 1 d . . .
N8 N 0.6133(7) -0.1050(11) 1.0312(8) 0.090(3) Uani 1 1 d . . .
H8C H 0.6310 -0.1220 1.0774 0.107 Uiso 1 1 calc R . .
N9 N 0.4563(6) -0.2478(6) 0.6920(6) 0.068(2) Uani 1 1 d . . .
H9D H 0.4106 -0.3037 0.6403 0.082 Uiso 1 1 calc R . .
N10 N 0.5337(6) -0.1769(7) 0.8592(7) 0.068(2) Uani 1 1 d . . .
C1 C 0.8709(8) 0.2115(7) 0.6970(6) 0.050(2) Uani 1 1 d . . .
C2 C 0.9033(6) 0.2836(6) 0.6476(6) 0.043(2) Uani 1 1 d . . .
C3 C 1.0133(6) 0.3668(7) 0.7070(6) 0.048(2) Uani 1 1 d . . .
H3A H 1.0613 0.3335 0.7148 0.057 Uiso 1 1 calc R . .
H3B H 1.0193 0.4113 0.7712 0.057 Uiso 1 1 calc R . .
C4 C 1.0402(6) 0.4330(7) 0.6559(7) 0.052(2) Uani 1 1 d . . .
H4A H 1.1122 0.4863 0.6940 0.062 Uiso 1 1 calc R . .
C5 C 1.0309(7) 0.3620(8) 0.5564(8) 0.073(3) Uani 1 1 d . . .
H5A H 1.0784 0.3280 0.5635 0.088 Uiso 1 1 calc R . .
H5B H 1.0500 0.4040 0.5235 0.088 Uiso 1 1 calc R . .
C6 C 0.8932(6) 0.2131(6) 0.5458(6) 0.047(2) Uani 1 1 d . . .
H6A H 0.9399 0.1780 0.5515 0.056 Uiso 1 1 calc R . .
H6B H 0.8224 0.1595 0.5080 0.056 Uiso 1 1 calc R . .
C7 C 0.9198(7) 0.2787(7) 0.4959(7) 0.054(2) Uani 1 1 d . . .
H7A H 0.9153 0.2334 0.4319 0.064 Uiso 1 1 calc R . .
C8 C 0.9667(6) 0.4880(6) 0.6457(6) 0.047(2) Uani 1 1 d . . .
H8A H 0.9703 0.5303 0.7094 0.056 Uiso 1 1 calc R . .
H8B H 0.9879 0.5347 0.6174 0.056 Uiso 1 1 calc R . .
C9 C 0.8463(7) 0.3335(6) 0.4823(6) 0.050(2) Uani 1 1 d . . .
H9A H 0.8643 0.3738 0.4476 0.060 Uiso 1 1 calc R . .
H9B H 0.7750 0.2812 0.4441 0.060 Uiso 1 1 calc R . .
C10 C 0.8557(6) 0.4066(6) 0.5812(6) 0.0373(19) Uani 1 1 d . . .
C11 C 0.8290(6) 0.3398(6) 0.6346(5) 0.049(2) Uani 1 1 d . . .
H11A H 0.7576 0.2872 0.5977 0.059 Uiso 1 1 calc R . .
H11B H 0.8342 0.3851 0.6981 0.059 Uiso 1 1 calc R . .
C12 C 0.7788(7) 0.4568(7) 0.5704(7) 0.049(2) Uani 1 1 d . . .
C13 C 0.4129(9) 0.3505(8) 0.5489(8) 0.062(3) Uani 1 1 d . . .
C14 C 0.3578(6) 0.2719(7) 0.5767(6) 0.049(2) Uani 1 1 d D . .
C15 C 0.2987(10) 0.1636(9) 0.4944(8) 0.118(5) Uani 1 1 d DU . .
H15A H 0.3470 0.1337 0.4790 0.141 Uiso 1 1 calc R . .
H15B H 0.2591 0.1669 0.4372 0.141 Uiso 1 1 calc R . .
C16 C 0.4283(7) 0.2665(7) 0.6616(6) 0.062(3) Uani 1 1 d D . .
H16A H 0.4651 0.3363 0.7167 0.075 Uiso 1 1 calc R . .
H16B H 0.4798 0.2438 0.6437 0.075 Uiso 1 1 calc R . .
C17 C 0.2865(11) 0.3174(12) 0.6179(12) 0.151(6) Uani 1 1 d DU . .
H17A H 0.2344 0.3178 0.5660 0.181 Uiso 1 1 calc R . .
H17B H 0.3282 0.3899 0.6675 0.181 Uiso 1 1 calc R . .
C18 C 0.2280(11) 0.2492(12) 0.6650(11) 0.129(5) Uani 1 1 d DU . .
H18A H 0.1843 0.2795 0.6919 0.155 Uiso 1 1 calc R . .
C19 C 0.1659(10) 0.1511(12) 0.5771(9) 0.129(5) Uani 1 1 d D . .
H19A H 0.1238 0.1667 0.5306 0.155 Uiso 1 1 calc R . .
H19B H 0.1180 0.1054 0.5925 0.155 Uiso 1 1 calc R . .
C20 C 0.2168(10) 0.0857(10) 0.5237(9) 0.116(5) Uani 1 1 d DU . .
H20A H 0.1675 0.0168 0.4692 0.139 Uiso 1 1 calc R . .
C21 C 0.3042(9) 0.0806(7) 0.6081(7) 0.084(3) Uani 1 1 d D . .
H21A H 0.2702 0.0320 0.6299 0.100 Uiso 1 1 calc R . .
H21B H 0.3506 0.0556 0.5823 0.100 Uiso 1 1 calc R . .
C23 C 0.2941(14) 0.2265(13) 0.7334(12) 0.158(7) Uani 1 1 d D . .
H23A H 0.2513 0.1727 0.7453 0.190 Uiso 1 1 calc R . .
H23B H 0.3352 0.2898 0.7950 0.190 Uiso 1 1 calc R . .
C22 C 0.3649(7) 0.1886(7) 0.6914(6) 0.054(2) Uani 1 1 d D A .
C24 C 0.4359(11) 0.1829(11) 0.7779(8) 0.095(4) Uani 1 1 d D . .
C25 C 0.9605(8) 0.3423(8) 0.9673(7) 0.079(3) Uani 1 1 d . . .
H25A H 0.9440 0.3552 0.9134 0.095 Uiso 1 1 calc R . .
C26 C 1.0551(9) 0.4060(9) 1.0440(9) 0.092(4) Uani 1 1 d . . .
H26A H 1.1004 0.4650 1.0444 0.110 Uiso 1 1 calc R . .
C27 C 1.0827(8) 0.3819(9) 1.1206(8) 0.080(3) Uani 1 1 d . . .
H27A H 1.1485 0.4223 1.1709 0.096 Uiso 1 1 calc R . .
C28 C 1.0136(7) 0.2985(8) 1.1228(7) 0.055(2) Uani 1 1 d . . .
C29 C 0.9205(7) 0.2423(7) 1.0442(6) 0.051(2) Uani 1 1 d . . .
H29A H 0.8729 0.1847 1.0436 0.061 Uiso 1 1 calc R . .
C30 C 1.0077(8) 0.1917(10) 1.2078(7) 0.070(3) Uani 1 1 d . . .
C31 C 1.0294(8) 0.1950(10) 1.3006(7) 0.083(4) Uani 1 1 d . . .
H31A H 1.0664 0.2589 1.3569 0.099 Uiso 1 1 calc R . .
C32 C 0.9946(9) 0.1020(11) 1.3058(8) 0.086(3) Uani 1 1 d U . .
H32A H 1.0109 0.1030 1.3666 0.103 Uiso 1 1 calc R . .
C33 C 0.9362(8) 0.0067(9) 1.2237(8) 0.073(3) Uani 1 1 d . . .
H33A H 0.9096 -0.0566 1.2269 0.087 Uiso 1 1 calc R . .
C34 C 0.9195(7) 0.0118(9) 1.1336(6) 0.052(2) Uani 1 1 d . . .
C35 C 0.8620(7) -0.0307(7) 0.9160(6) 0.047(2) Uani 1 1 d . . .
H35A H 0.9034 0.0396 0.9608 0.057 Uiso 1 1 calc R . .
C36 C 0.8346(6) -0.1044(7) 0.9499(6) 0.045(2) Uani 1 1 d . . .
C37 C 0.7695(7) -0.1576(8) 0.7559(7) 0.058(3) Uani 1 1 d . . .
H37A H 0.7483 -0.1759 0.6899 0.070 Uiso 1 1 calc R . .
C38 C 0.7369(7) -0.2348(8) 0.7848(7) 0.064(3) Uani 1 1 d . . .
H38A H 0.6932 -0.3040 0.7384 0.077 Uiso 1 1 calc R . .
C39 C 0.7692(7) -0.2092(7) 0.8812(8) 0.058(3) Uani 1 1 d . . .
H39A H 0.7480 -0.2607 0.9013 0.069 Uiso 1 1 calc R . .
C40 C 0.5645(8) 0.0161(8) 0.6509(7) 0.067(3) Uani 1 1 d . . .
H40A H 0.5844 0.0779 0.6442 0.081 Uiso 1 1 calc R . .
C41 C 0.4881(9) -0.0704(10) 0.5750(8) 0.089(4) Uani 1 1 d . . .
H41A H 0.4618 -0.0717 0.5146 0.107 Uiso 1 1 calc R . .
C42 C 0.4491(8) -0.1583(9) 0.5890(7) 0.087(4) Uani 1 1 d . . .
H42A H 0.3931 -0.2186 0.5381 0.105 Uiso 1 1 calc R . .
C43 C 0.4925(7) -0.1584(7) 0.6786(6) 0.052(2) Uani 1 1 d . . .
C44 C 0.5818(6) -0.0625(7) 0.7473(6) 0.053(2) Uani 1 1 d . . .
H44A H 0.6200 -0.0593 0.8057 0.064 Uiso 1 1 calc R . .
C45 C 0.4825(8) -0.2608(10) 0.7755(10) 0.070(3) Uani 1 1 d . . .
C46 C 0.4502(11) -0.3619(10) 0.7668(11) 0.110(4) Uani 1 1 d U . .
H46A H 0.4094 -0.4208 0.7068 0.132 Uiso 1 1 calc R . .
C47 C 0.4813(12) -0.3708(12) 0.8509(13) 0.118(5) Uani 1 1 d . . .
H47A H 0.4635 -0.4376 0.8481 0.142 Uiso 1 1 calc R . .
C48 C 0.5377(11) -0.2842(13) 0.9385(11) 0.107(4) Uani 1 1 d U . .
H48A H 0.5615 -0.2911 0.9951 0.129 Uiso 1 1 calc R . .
C49 C 0.5582(9) -0.1892(11) 0.9417(11) 0.072(3) Uani 1 1 d . . .
C50 C 0.6463(9) 0.0020(13) 1.0623(8) 0.080(4) Uani 1 1 d . . .
C51 C 0.7062(8) 0.0702(12) 1.1600(8) 0.095(4) Uani 1 1 d . . .
H51A H 0.7235 0.0432 1.2036 0.114 Uiso 1 1 calc R . .
C52 C 0.7396(9) 0.1751(12) 1.1921(9) 0.097(4) Uani 1 1 d U . .
H52A H 0.7810 0.2208 1.2575 0.116 Uiso 1 1 calc R . .
C53 C 0.6220(7) 0.0458(10) 1.0012(7) 0.064(3) Uani 1 1 d . . .
H53A H 0.5817 0.0012 0.9353 0.077 Uiso 1 1 calc R . .
C54 C 0.7116(9) 0.2149(10) 1.1266(8) 0.092(4) Uani 1 1 d . . .
H54A H 0.7336 0.2874 1.1489 0.110 Uiso 1 1 calc R . .
C55 C 0.340(2) 0.4983(17) 0.9902(19) 0.212(11) Uani 1 1 d D . .
H55C H 0.3971 0.4936 0.9705 0.255 Uiso 0.25 1 calc PR B 2
H55D H 0.3698 0.5638 1.0497 0.255 Uiso 0.25 1 calc PR B 2
H55A H 0.3675 0.4759 0.9408 0.255 Uiso 0.75 1 d PR B 1
H55B H 0.3991 0.5547 1.0484 0.255 Uiso 0.75 1 d PR B 1
C56 C 0.266(2) 0.553(2) 0.960(2) 0.192(12) Uiso 0.75 1 d PD C 1
H56A H 0.2666 0.6028 1.0179 0.289 Uiso 0.75 1 calc PR C 1
H56B H 0.1967 0.4996 0.9199 0.289 Uiso 0.75 1 calc PR C 1
H56C H 0.2913 0.5879 0.9250 0.289 Uiso 0.75 1 calc PR C 1
C56A C 0.269(3) 0.511(3) 0.915(2) 0.050(10) Uiso 0.25 1 d PD C 2
H56D H 0.2459 0.5641 0.9462 0.075 Uiso 0.25 1 calc PR C 2
H56E H 0.2092 0.4456 0.8728 0.075 Uiso 0.25 1 calc PR C 2
H56F H 0.3042 0.5334 0.8780 0.075 Uiso 0.25 1 calc PR C 2
O10 O 0.3450(5) 0.4945(6) 0.2052(6) 0.110(3) Uani 1 1 d . . .
H10A H 0.3896 0.5183 0.2582 0.132 Uiso 1 1 d R . .
H10B H 0.3277 0.5400 0.2011 0.132 Uiso 1 1 d R . .
O11 O 0.8395(10) 0.7498(8) 0.1130(8) 0.191(5) Uani 1 1 d . . .
H11C H 0.8408 0.7234 0.1491 0.230 Uiso 1 1 d R . .
H11D H 0.7930 0.6952 0.0712 0.230 Uiso 1 1 d R . .
O12 O 0.7153(6) 0.3450(6) 0.8088(6) 0.113(3) Uani 1 1 d . . .
H12A H 0.7370 0.3043 0.7825 0.136 Uiso 1 1 d R . .
H12B H 0.6618 0.3128 0.8101 0.136 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'
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
O8 Ag1 O7 139.9(3) 2_666 . ?
O8 Ag1 O3 114.4(3) 2_666 . ?
O7 Ag1 O3 105.5(3) . . ?
O8 Ag1 Ag1 76.8(2) 2_666 2_666 ?
O7 Ag1 Ag1 77.17(17) . 2_666 ?
O3 Ag1 Ag1 125.01(15) . 2_666 ?
N1 Ag2 N6 164.7(3) . . ?
N1 Ag2 O2 101.5(3) . . ?
N6 Ag2 O2 91.0(3) . . ?
N1 Ag2 Ag3 85.71(18) . . ?
N6 Ag2 Ag3 90.78(18) . . ?
O2 Ag2 Ag3 68.33(16) . . ?
N1 Ag2 Ag4 98.25(18) . . ?
N6 Ag2 Ag4 81.04(18) . . ?
O2 Ag2 Ag4 126.33(16) . . ?
Ag3 Ag2 Ag4 162.97(3) . . ?
O1 Ag3 N2 178.1(3) . . ?
O1 Ag3 Ag2 90.59(17) . . ?
N2 Ag3 Ag2 87.99(18) . . ?
O5 Ag4 N7 174.0(4) . . ?
O5 Ag4 Ag2 89.0(2) . . ?
N7 Ag4 Ag2 89.0(2) . . ?
C1 O1 Ag3 119.0(6) . . ?
C1 O2 Ag2 128.8(6) . . ?
C12 O3 Ag1 97.8(5) . . ?
C24 O5 Ag4 107.2(7) . . ?
C13 O7 Ag1 118.2(6) . . ?
C13 O8 Ag1 119.4(6) . 2_666 ?
C55 O9 H9C 110.8 . . ?
C29 N1 C25 117.3(8) . . ?
C29 N1 Ag2 122.3(6) . . ?
C25 N1 Ag2 119.5(7) . . ?
C35 N2 C37 119.3(8) . . ?
C35 N2 Ag3 121.8(6) . . ?
C37 N2 Ag3 118.8(6) . . ?
C34 N3 C36 129.3(8) . . ?
C34 N3 H3C 115.4 . . ?
C36 N3 H3C 115.4 . . ?
C34 N4 C30 119.9(9) . . ?
C30 N5 C28 127.8(9) . . ?
C30 N5 H5C 116.1 . . ?
C28 N5 H5C 116.1 . . ?
C40 N6 C44 119.2(8) . . ?
C40 N6 Ag2 121.8(7) . . ?
C44 N6 Ag2 118.8(6) . . ?
C54 N7 C53 119.3(10) . . ?
C54 N7 Ag4 124.3(9) . . ?
C53 N7 Ag4 116.2(7) . . ?
C49 N8 C50 132.6(10) . . ?
C49 N8 H8C 113.7 . . ?
C50 N8 H8C 113.7 . . ?
C45 N9 C43 130.0(9) . . ?
C45 N9 H9D 115.0 . . ?
C43 N9 H9D 115.0 . . ?
C45 N10 C49 118.7(10) . . ?
O2 C1 O1 123.4(9) . . ?
O2 C1 C2 120.1(8) . . ?
O1 C1 C2 116.4(8) . . ?
C3 C2 C6 110.1(7) . . ?
C3 C2 C11 108.3(7) . . ?
C6 C2 C11 107.7(6) . . ?
C3 C2 C1 111.6(7) . . ?
C6 C2 C1 108.3(6) . . ?
C11 C2 C1 110.7(7) . . ?
C2 C3 C4 109.2(7) . . ?
C2 C3 H3A 109.8 . . ?
C4 C3 H3A 109.8 . . ?
C2 C3 H3B 109.8 . . ?
C4 C3 H3B 109.8 . . ?
H3A C3 H3B 108.3 . . ?
C3 C4 C5 108.8(7) . . ?
C3 C4 C8 110.2(7) . . ?
C5 C4 C8 110.1(7) . . ?
C3 C4 H4A 109.2 . . ?
C5 C4 H4A 109.2 . . ?
C8 C4 H4A 109.2 . . ?
C4 C5 C7 110.1(7) . . ?
C4 C5 H5A 109.6 . . ?
C7 C5 H5A 109.6 . . ?
C4 C5 H5B 109.6 . . ?
C7 C5 H5B 109.6 . . ?
H5A C5 H5B 108.1 . . ?
C7 C6 C2 109.6(7) . . ?
C7 C6 H6A 109.8 . . ?
C2 C6 H6A 109.8 . . ?
C7 C6 H6B 109.8 . . ?
C2 C6 H6B 109.8 . . ?
H6A C6 H6B 108.2 . . ?
C6 C7 C5 108.9(8) . . ?
C6 C7 C9 111.9(7) . . ?
C5 C7 C9 109.0(7) . . ?
C6 C7 H7A 109.0 . . ?
C5 C7 H7A 109.0 . . ?
C9 C7 H7A 109.0 . . ?
C10 C8 C4 110.0(7) . . ?
C10 C8 H8A 109.7 . . ?
C4 C8 H8A 109.7 . . ?
C10 C8 H8B 109.7 . . ?
C4 C8 H8B 109.7 . . ?
H8A C8 H8B 108.2 . . ?
C10 C9 C7 109.3(7) . . ?
C10 C9 H9A 109.8 . . ?
C7 C9 H9A 109.8 . . ?
C10 C9 H9B 109.8 . . ?
C7 C9 H9B 109.8 . . ?
H9A C9 H9B 108.3 . . ?
C12 C10 C9 110.8(7) . . ?
C12 C10 C8 112.3(7) . . ?
C9 C10 C8 112.2(7) . . ?
C12 C10 C11 108.1(6) . . ?
C9 C10 C11 108.0(6) . . ?
C8 C10 C11 105.2(6) . . ?
C10 C11 C2 111.7(7) . . ?
C10 C11 H11A 109.3 . . ?
C2 C11 H11A 109.3 . . ?
C10 C11 H11B 109.3 . . ?
C2 C11 H11B 109.3 . . ?
H11A C11 H11B 107.9 . . ?
O4 C12 O3 120.7(8) . . ?
O4 C12 C10 119.6(8) . . ?
O3 C12 C10 119.4(8) . . ?
O7 C13 O8 124.8(10) . . ?
O7 C13 C14 117.9(9) . . ?
O8 C13 C14 117.3(10) . . ?
C13 C14 C15 113.2(8) . . ?
C13 C14 C16 113.8(8) . . ?
C15 C14 C16 108.7(7) . . ?
C13 C14 C17 104.2(8) . . ?
C15 C14 C17 112.7(10) . . ?
C16 C14 C17 103.8(9) . . ?
C14 C15 C20 110.4(9) . . ?
C14 C15 H15A 109.6 . . ?
C20 C15 H15A 109.6 . . ?
C14 C15 H15B 109.6 . . ?
C20 C15 H15B 109.6 . . ?
H15A C15 H15B 108.1 . . ?
C14 C16 C22 111.1(7) . . ?
C14 C16 H16A 109.4 . . ?
C22 C16 H16A 109.4 . . ?
C14 C16 H16B 109.4 . . ?
C22 C16 H16B 109.4 . . ?
H16A C16 H16B 108.0 . . ?
C14 C17 C18 112.3(10) . . ?
C14 C17 H17A 109.1 . . ?
C18 C17 H17A 109.1 . . ?
C14 C17 H17B 109.1 . . ?
C18 C17 H17B 109.1 . . ?
H17A C17 H17B 107.9 . . ?
C19 C18 C23 107.0(14) . . ?
C19 C18 C17 98.1(12) . . ?
C23 C18 C17 116.2(12) . . ?
C19 C18 H18A 111.6 . . ?
C23 C18 H18A 111.6 . . ?
C17 C18 H18A 111.6 . . ?
C18 C19 C20 121.3(12) . . ?
C18 C19 H19A 107.0 . . ?
C20 C19 H19A 107.0 . . ?
C18 C19 H19B 107.0 . . ?
C20 C19 H19B 107.0 . . ?
H19A C19 H19B 106.7 . . ?
C19 C20 C21 105.8(9) . . ?
C19 C20 C15 107.6(10) . . ?
C21 C20 C15 98.3(9) . . ?
C19 C20 H20A 114.5 . . ?
C21 C20 H20A 114.5 . . ?
C15 C20 H20A 114.5 . . ?
C22 C21 C20 108.6(8) . . ?
C22 C21 H21A 110.0 . . ?
C20 C21 H21A 110.0 . . ?
C22 C21 H21B 110.0 . . ?
C20 C21 H21B 110.0 . . ?
H21A C21 H21B 108.4 . . ?
C18 C23 C22 109.0(12) . . ?
C18 C23 H23A 109.9 . . ?
C22 C23 H23A 109.9 . . ?
C18 C23 H23B 109.9 . . ?
C22 C23 H23B 109.9 . . ?
H23A C23 H23B 108.3 . . ?
C21 C22 C23 110.3(10) . . ?
C21 C22 C24 109.5(8) . . ?
C23 C22 C24 100.9(9) . . ?
C21 C22 C16 111.5(8) . . ?
C23 C22 C16 112.6(9) . . ?
C24 C22 C16 111.5(8) . . ?
O5 C24 O6 114.8(12) . . ?
O5 C24 O6A 121.2(13) . . ?
O6 C24 O6A 70.7(11) . . ?
O5 C24 C22 120.6(10) . . ?
O6 C24 C22 120.0(11) . . ?
O6A C24 C22 97.4(13) . . ?
N1 C25 C26 120.8(10) . . ?
N1 C25 H25A 119.6 . . ?
C26 C25 H25A 119.6 . . ?
C25 C26 C27 119.5(11) . . ?
C25 C26 H26A 120.3 . . ?
C27 C26 H26A 120.3 . . ?
C28 C27 C26 120.3(11) . . ?
C28 C27 H27A 119.9 . . ?
C26 C27 H27A 119.9 . . ?
N5 C28 C29 127.3(10) . . ?
N5 C28 C27 117.5(10) . . ?
C29 C28 C27 115.3(10) . . ?
N1 C29 C28 126.7(9) . . ?
N1 C29 H29A 116.7 . . ?
C28 C29 H29A 116.7 . . ?
N5 C30 N4 120.4(9) . . ?
N5 C30 C31 119.2(10) . . ?
N4 C30 C31 120.4(12) . . ?
C32 C31 C30 118.3(11) . . ?
C32 C31 H31A 120.8 . . ?
C30 C31 H31A 120.8 . . ?
C31 C32 C33 122.1(11) . . ?
C31 C32 H32A 119.0 . . ?
C33 C32 H32A 119.0 . . ?
C32 C33 C34 115.2(11) . . ?
C32 C33 H33A 122.4 . . ?
C34 C33 H33A 122.4 . . ?
N4 C34 N3 120.1(8) . . ?
N4 C34 C33 123.8(9) . . ?
N3 C34 C33 116.1(10) . . ?
N2 C35 C36 122.3(8) . . ?
N2 C35 H35A 118.9 . . ?
C36 C35 H35A 118.9 . . ?
C35 C36 C39 117.9(8) . . ?
C35 C36 N3 126.2(8) . . ?
C39 C36 N3 115.9(8) . . ?
N2 C37 C38 121.5(9) . . ?
N2 C37 H37A 119.3 . . ?
C38 C37 H37A 119.3 . . ?
C39 C38 C37 119.7(9) . . ?
C39 C38 H38A 120.1 . . ?
C37 C38 H38A 120.1 . . ?
C38 C39 C36 119.3(9) . . ?
C38 C39 H39A 120.4 . . ?
C36 C39 H39A 120.4 . . ?
N6 C40 C41 124.4(10) . . ?
N6 C40 H40A 117.8 . . ?
C41 C40 H40A 117.8 . . ?
C40 C41 C42 117.6(10) . . ?
C40 C41 H41A 121.2 . . ?
C42 C41 H41A 121.2 . . ?
C41 C42 C43 121.3(9) . . ?
C41 C42 H42A 119.3 . . ?
C43 C42 H42A 119.3 . . ?
N9 C43 C42 121.6(9) . . ?
N9 C43 C44 125.6(8) . . ?
C42 C43 C44 112.5(9) . . ?
N6 C44 C43 124.2(8) . . ?
N6 C44 H44A 117.9 . . ?
C43 C44 H44A 117.9 . . ?
N10 C45 C46 122.8(12) . . ?
N10 C45 N9 118.5(10) . . ?
C46 C45 N9 118.6(12) . . ?
C47 C46 C45 116.5(14) . . ?
C47 C46 H46A 121.8 . . ?
C45 C46 H46A 121.8 . . ?
C48 C47 C46 121.3(13) . . ?
C48 C47 H47A 119.3 . . ?
C46 C47 H47A 119.3 . . ?
C49 C48 C47 118.6(14) . . ?
C49 C48 H48A 120.7 . . ?
C47 C48 H48A 120.7 . . ?
C48 C49 N8 116.4(13) . . ?
C48 C49 N10 121.6(14) . . ?
N8 C49 N10 121.7(11) . . ?
C53 C50 N8 123.2(11) . . ?
C53 C50 C51 117.6(14) . . ?
N8 C50 C51 119.3(11) . . ?
C52 C51 C50 120.3(12) . . ?
C52 C51 H51A 119.8 . . ?
C50 C51 H51A 119.8 . . ?
C51 C52 C54 119.5(12) . . ?
C51 C52 H52A 120.2 . . ?
C54 C52 H52A 120.2 . . ?
N7 C53 C50 122.6(11) . . ?
N7 C53 H53A 118.7 . . ?
C50 C53 H53A 118.7 . . ?
N7 C54 C52 120.7(12) . . ?
N7 C54 H54A 119.6 . . ?
C52 C54 H54A 119.6 . . ?
O9 C55 C56A 124(3) . . ?
O9 C55 C56 123(2) . . ?
O9 C55 H55C 106.4 . . ?
C56A C55 H55C 106.4 . . ?
O9 C55 H55D 106.4 . . ?
C56A C55 H55D 106.5 . . ?
H55C C55 H55D 106.5 . . ?
O9 C55 H55A 107.9 . . ?
C56 C55 H55A 109.6 . . ?
O9 C55 H55B 104.0 . . ?
C56 C55 H55B 104.8 . . ?
H55A C55 H55B 106.5 . . ?
C55 C56 H56A 109.5 . . ?
C55 C56 H56B 109.5 . . ?
C55 C56 H56C 109.5 . . ?
C55 C56A H56D 109.5 . . ?
C55 C56A H56E 109.5 . . ?
H56D C56A H56E 109.5 . . ?
C55 C56A H56F 109.5 . . ?
H56D C56A H56F 109.5 . . ?
H56E C56A H56F 109.5 . . ?
H10A O10 H10B 108.4 . . ?
H11C O11 H11D 87.8 . . ?
H12A O12 H12B 109.1 . . ?
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
Ag1 O8 2.218(6) 2_666 ?
Ag1 O7 2.279(6) . ?
Ag1 O3 2.455(6) . ?
Ag1 Ag1 2.8847(14) 2_666 ?
Ag2 N1 2.127(7) . ?
Ag2 N6 2.148(7) . ?
Ag2 O2 2.505(7) . ?
Ag2 Ag3 2.9452(10) . ?
Ag2 Ag4 3.0326(11) . ?
Ag3 O1 2.135(6) . ?
Ag3 N2 2.133(7) . ?
Ag4 O5 2.120(7) . ?
Ag4 N7 2.122(8) . ?
O1 C1 1.244(10) . ?
O2 C1 1.240(10) . ?
O3 C12 1.246(9) . ?
O4 C12 1.245(9) . ?
O5 C24 1.243(13) . ?
O6 C24 1.337(13) . ?
O6A C24 1.53(2) . ?
O7 C13 1.240(11) . ?
O8 C13 1.247(10) . ?
O8 Ag1 2.218(6) 2_666 ?
O9 C55 1.27(2) . ?
O9 H9C 0.7999 . ?
N1 C29 1.315(10) . ?
N1 C25 1.345(11) . ?
N2 C35 1.336(10) . ?
N2 C37 1.338(10) . ?
N3 C34 1.385(11) . ?
N3 C36 1.435(10) . ?
N3 H3C 0.8600 . ?
N4 C34 1.298(10) . ?
N4 C30 1.347(11) . ?
N5 C30 1.336(12) . ?
N5 C28 1.346(11) . ?
N5 H5C 0.8600 . ?
N6 C40 1.292(10) . ?
N6 C44 1.294(10) . ?
N7 C54 1.331(12) . ?
N7 C53 1.339(12) . ?
N8 C49 1.357(14) . ?
N8 C50 1.375(14) . ?
N8 H8C 0.8600 . ?
N9 C45 1.382(12) . ?
N9 C43 1.389(10) . ?
N9 H9D 0.8600 . ?
N10 C45 1.301(12) . ?
N10 C49 1.360(13) . ?
C1 C2 1.571(11) . ?
C2 C3 1.507(10) . ?
C2 C6 1.536(11) . ?
C2 C11 1.554(10) . ?
C3 C4 1.508(11) . ?
C3 H3A 0.9700 . ?
C3 H3B 0.9700 . ?
C4 C5 1.515(12) . ?
C4 C8 1.527(11) . ?
C4 H4A 0.9800 . ?
C5 C7 1.520(12) . ?
C5 H5A 0.9700 . ?
C5 H5B 0.9700 . ?
C6 C7 1.484(10) . ?
C6 H6A 0.9700 . ?
C6 H6B 0.9700 . ?
C7 C9 1.532(11) . ?
C7 H7A 0.9800 . ?
C8 C10 1.517(10) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C9 C10 1.517(10) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C10 C12 1.514(11) . ?
C10 C11 1.545(11) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C13 C14 1.485(12) . ?
C14 C15 1.488(12) . ?
C14 C16 1.515(10) . ?
C14 C17 1.550(13) . ?
C15 C20 1.687(13) . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C16 C22 1.552(10) . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C17 C18 1.635(14) . ?
C17 H17A 0.9700 . ?
C17 H17B 0.9700 . ?
C18 C19 1.444(14) . ?
C18 C23 1.457(14) . ?
C18 H18A 0.9800 . ?
C19 C20 1.541(14) . ?
C19 H19A 0.9700 . ?
C19 H19B 0.9700 . ?
C20 C21 1.636(13) . ?
C20 H20A 0.9800 . ?
C21 C22 1.492(11) . ?
C21 H21A 0.9700 . ?
C21 H21B 0.9700 . ?
C23 C22 1.498(13) . ?
C23 H23A 0.9700 . ?
C23 H23B 0.9700 . ?
C22 C24 1.540(14) . ?
C25 C26 1.371(13) . ?
C25 H25A 0.9300 . ?
C26 C27 1.381(14) . ?
C26 H26A 0.9300 . ?
C27 C28 1.372(13) . ?
C27 H27A 0.9300 . ?
C28 C29 1.365(11) . ?
C29 H29A 0.9300 . ?
C30 C31 1.410(14) . ?
C31 C32 1.365(15) . ?
C31 H31A 0.9300 . ?
C32 C33 1.376(14) . ?
C32 H32A 0.9300 . ?
C33 C34 1.426(12) . ?
C33 H33A 0.9300 . ?
C35 C36 1.383(11) . ?
C35 H35A 0.9300 . ?
C36 C39 1.401(12) . ?
C37 C38 1.382(12) . ?
C37 H37A 0.9300 . ?
C38 C39 1.360(12) . ?
C38 H38A 0.9300 . ?
C39 H39A 0.9300 . ?
C40 C41 1.329(13) . ?
C40 H40A 0.9300 . ?
C41 C42 1.384(14) . ?
C41 H41A 0.9300 . ?
C42 C43 1.405(13) . ?
C42 H42A 0.9300 . ?
C43 C44 1.432(11) . ?
C44 H44A 0.9300 . ?
C45 C46 1.380(14) . ?
C46 C47 1.363(17) . ?
C46 H46A 0.9300 . ?
C47 C48 1.357(17) . ?
C47 H47A 0.9300 . ?
C48 C49 1.332(15) . ?
C48 H48A 0.9300 . ?
C50 C53 1.372(13) . ?
C50 C51 1.384(15) . ?
C51 C52 1.343(16) . ?
C51 H51A 0.9300 . ?
C52 C54 1.393(15) . ?
C52 H52A 0.9300 . ?
C53 H53A 0.9300 . ?
C54 H54A 0.9300 . ?
C55 C56A 1.48(3) . ?
C55 C56 1.58(3) . ?
C55 H55C 0.9700 . ?
C55 H55D 0.9700 . ?
C55 H55A 0.9699 . ?
C55 H55B 0.9700 . ?
C56 H56A 0.9600 . ?
C56 H56B 0.9600 . ?
C56 H56C 0.9600 . ?
C56A H56D 0.9600 . ?
C56A H56E 0.9600 . ?
C56A H56F 0.9600 . ?
O10 H10A 0.8001 . ?
O10 H10B 0.8002 . ?
O11 H11C 0.8000 . ?
O11 H11D 0.8000 . ?
O12 H12A 0.8000 . ?
O12 H12B 0.8001 . ?
