#------------------------------------------------------------------------------
#$Date: 2016-02-20 02:53:41 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176768 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/57/2105771.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_2105771
loop_
_publ_author_name
'Hau, Sam C. K.'
'Tam, Dennis Y. S.'
'Mak, Thomas C. W.'
_publ_section_title
;
 Organosilver(I) framework assembly with trifluoroacetate and
 enediyne-functionalized alicycles
;
_journal_coeditor_code           BI5014
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              37
_journal_page_last               46
_journal_paper_doi               10.1107/S2052520614000171
_journal_volume                  70
_journal_year                    2014
_chemical_formula_moiety
;
 7(Ag +), (C10 H8 2-), 5(C2 F3 O2 -), 2(C10 H8 N2)
;
_chemical_formula_sum            'C40 H24 Ag7 F15 N4 O10'
_chemical_formula_weight         1760.72
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2013
_cell_angle_alpha                96.481(5)
_cell_angle_beta                 108.935(5)
_cell_angle_gamma                115.229(4)
_cell_formula_units_Z            2
_cell_length_a                   12.427(3)
_cell_length_b                   14.132(3)
_cell_length_c                   16.384(6)
_cell_measurement_temperature    173(2)
_cell_volume                     2353.5(12)
_computing_cell_refinement       'SAINT (Bruker, 2003)'
_computing_data_collection       'APEX2 (Bruker, 2003)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'DIAMOND (Brandenburg, 2009)'
_computing_publication_material  SHELXL-2013
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker APEX-II CCD diffractometer'
_diffrn_measurement_method       'φ and ω scan'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0933
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            18969
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.250
_diffrn_reflns_theta_min         1.893
_exptl_absorpt_coefficient_mu    2.972
_exptl_absorpt_correction_T_max  0.3827
_exptl_absorpt_correction_T_min  0.3181
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker, 2003)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.485
_exptl_crystal_description       block
_exptl_crystal_F_000             1672
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.50
_exptl_crystal_size_min          0.40
_refine_diff_density_max         1.744
_refine_diff_density_min         -1.616
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.040
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     686
_refine_ls_number_reflns         8486
_refine_ls_number_restraints     360
_refine_ls_restrained_S_all      1.045
_refine_ls_R_factor_all          0.1064
_refine_ls_R_factor_gt           0.0825
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1152P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1984
_refine_ls_wR_factor_ref         0.2140
_reflns_number_gt                6185
_reflns_number_total             8486
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            bi5014sup1.cif
_cod_data_source_block           VII
_cod_database_code               2105771
#BEGIN Tags that were not found in dictionaries:
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.318
_shelx_estimated_absorpt_t_max   0.383
#END Tags that were not found in dictionaries
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_occupancy
Ag Ag1 -0.13419(9) -0.17284(7) 0.86522(6) 0.0225(2) Uani d 1
Ag Ag2 0.11776(9) 0.01035(7) 0.99309(6) 0.0279(2) Uani d 1
Ag Ag3 -0.31333(9) -0.09425(8) 0.81438(6) 0.0318(3) Uani d 1
Ag Ag4 -0.00614(9) -0.04568(7) 0.76277(6) 0.0275(3) Uani d 1
Ag Ag5 0.10595(10) -0.07953(8) 0.62362(6) 0.0288(3) Uani d 1
Ag Ag6 0.00832(13) 0.08219(10) 0.56938(7) 0.0476(3) Uani d 1
Ag Ag7 0.34071(10) 0.10803(9) 0.71064(7) 0.0381(3) Uani d 1
C C1 -0.0985(12) -0.0032(10) 0.8633(8) 0.027(3) Uani d 1
C C2 -0.0267(10) 0.0829(9) 0.8529(7) 0.019(2) Uani d 1
C C3 0.0449(11) 0.1927(9) 0.8504(7) 0.020(2) Uani d 1
C C4 0.0347(12) 0.2798(10) 0.9067(8) 0.028(3) Uani d 1
H H4A 0.0517 0.2723 0.9683 0.034 Uiso calc 1
H H4B -0.0547 0.2692 0.8791 0.034 Uiso calc 1
C C5 0.1341(17) 0.3947(12) 0.9119(10) 0.049(4) Uani d 1
H H5A 0.1103 0.4478 0.9339 0.059 Uiso calc 1
H H5B 0.2214 0.4138 0.9568 0.059 Uiso calc 1
C C6 0.1428(17) 0.4064(13) 0.8278(11) 0.052(4) Uani d 1
H H6A 0.2069 0.4828 0.8364 0.062 Uiso calc 1
H H6B 0.0567 0.3894 0.7824 0.062 Uiso calc 1
C C7 0.1861(12) 0.3274(9) 0.7937(8) 0.024(2) Uani d 1
H H7A 0.1716 0.3228 0.7300 0.029 Uiso calc 1
H H7B 0.2810 0.3579 0.8295 0.029 Uiso calc 1
C C8 0.1149(11) 0.2158(9) 0.8005(7) 0.023(2) Uani d 1
C C9 0.1273(11) 0.1321(9) 0.7528(7) 0.021(2) Uani d 1
C C10 0.1523(11) 0.0726(9) 0.7105(7) 0.022(2) Uani d 1
O O1 -0.0243(9) -0.2680(7) 0.8918(6) 0.032(2) Uani d 1
O O2 0.1736(9) -0.1263(8) 0.9792(7) 0.043(2) Uani d 1
C C11 0.0934(13) -0.2243(11) 0.9393(8) 0.032(3) Uani d 1
C C12 0.1486(10) -0.3053(9) 0.9464(7) 0.042(3) Uani d 1
F F1 0.1156(10) -0.3652(7) 0.8671(5) 0.074(3) Uani d 1
F F2 0.0999(12) -0.3721(9) 0.9893(7) 0.088(4) Uani d 1
F F3 0.2750(9) -0.2553(8) 0.9876(9) 0.139(6) Uani d 1
O O3 -0.2147(8) -0.3026(7) 0.7196(6) 0.035(2) Uani d 1
O O4 -0.0326(9) -0.2047(7) 0.7009(6) 0.038(2) Uani d 1
C C13 -0.1338(11) -0.2917(10) 0.6884(7) 0.023(2) Uani d 1
C C14 -0.1502(9) -0.3944(9) 0.6293(6) 0.040(3) Uani d 1
F F4 -0.2616(8) -0.4807(7) 0.6103(6) 0.069(3) Uani d 1
F F5 -0.1423(10) -0.3824(7) 0.5537(5) 0.077(3) Uani d 1
F F6 -0.0578(9) -0.4140(8) 0.6741(6) 0.083(4) Uani d 1
O O5 0.2935(8) 0.1492(7) 0.9886(6) 0.033(2) Uani d 1
O O6 0.2839(9) 0.2761(7) 1.0775(6) 0.036(2) Uani d 1
C C15 0.3342(12) 0.2446(10) 1.0328(7) 0.025(3) Uani d 1
C C16 0.4615(10) 0.3320(8) 1.0347(6) 0.032(3) Uani d 1
F F7 0.5575(8) 0.3128(8) 1.0716(7) 0.077(3) Uani d 1
F F8 0.4985(11) 0.4308(7) 1.0790(9) 0.118(5) Uani d 1
F F9 0.4514(10) 0.3321(10) 0.9533(6) 0.104(4) Uani d 1
O O7 0.1336(9) -0.2041(7) 0.5610(5) 0.036(2) Uani d 1
O O8 0.0646(12) -0.2072(10) 0.4161(7) 0.058(3) Uani d 1
C C17 0.1097(13) -0.2369(10) 0.4786(9) 0.033(3) Uani d 1
C C18 0.1445(9) -0.3275(8) 0.4584(6) 0.032(3) Uani d 1
F F10 0.1105(10) -0.3642(7) 0.3725(5) 0.073(3) Uani d 1
F F11 0.2710(7) -0.2884(7) 0.4992(7) 0.073(3) Uani d 1
F F12 0.0892(8) -0.4107(6) 0.4867(6) 0.057(2) Uani d 1
O O9 0.1711(19) 0.1868(11) 0.5330(12) 0.113(7) Uani d 1
O O10 0.1802(15) 0.0650(15) 0.4466(14) 0.139(9) Uani d 1
C C19 0.2280(18) 0.1602(15) 0.4964(12) 0.057(4) Uani d 1
C C20 0.3574(14) 0.2430(12) 0.4947(8) 0.080(6) Uani d 1
F F13 0.4504(10) 0.2302(10) 0.5477(6) 0.085(3) Uani d 1
F F14 0.3799(15) 0.3410(10) 0.5210(11) 0.150(6) Uani d 1
F F15 0.3563(13) 0.2264(11) 0.4143(7) 0.108(4) Uani d 1
N N1 -0.5031(10) -0.2574(8) 0.7370(7) 0.029(2) Uani d 1
N N2 -0.4807(11) -0.0742(10) 0.8302(8) 0.043(3) Uani d 1
C C21 -0.5081(14) -0.3501(12) 0.6973(9) 0.040(3) Uani d 1
H H21A -0.4300 -0.3462 0.6969 0.048 Uiso calc 1
C C22 -0.6236(14) -0.4508(12) 0.6572(9) 0.043(3) Uani d 1
H H22A -0.6236 -0.5137 0.6298 0.052 Uiso calc 1
C C23 -0.7360(16) -0.4579(14) 0.6579(9) 0.049(4) Uani d 1
H H23A -0.8156 -0.5255 0.6312 0.059 Uiso calc 1
C C24 -0.7310(14) -0.3625(13) 0.6990(9) 0.045(3) Uani d 1
H H24A -0.8078 -0.3649 0.7007 0.054 Uiso calc 1
C C25 -0.6147(12) -0.2658(11) 0.7368(7) 0.027(3) Uani d 1
C C26 -0.6013(12) -0.1634(11) 0.7861(8) 0.030(3) Uani d 1
C C27 -0.7104(14) -0.1563(13) 0.7899(9) 0.040(3) Uani d 1
H H27A -0.7965 -0.2164 0.7576 0.048 Uiso calc 1
C C28 -0.6886(15) -0.0602(14) 0.8416(10) 0.047(4) Uani d 1
H H28A -0.7610 -0.0559 0.8455 0.056 Uiso calc 1
C C29 -0.5704(16) 0.0258(14) 0.8856(10) 0.049(4) Uani d 1
H H29A -0.5563 0.0912 0.9215 0.059 Uiso calc 1
C C30 -0.4659(15) 0.0157(13) 0.8767(9) 0.048(4) Uani d 1
H H30A -0.3805 0.0774 0.9060 0.057 Uiso calc 1
N N3 0.4862(10) 0.0771(8) 0.6771(7) 0.029(2) Uani d 1
N N4 0.5290(11) 0.2720(9) 0.7629(7) 0.036(3) Uani d 1
C C31 0.4617(14) -0.0226(11) 0.6327(9) 0.038(3) Uani d 1
H H31A 0.3760 -0.0831 0.6114 0.045 Uiso calc 1
C C32 0.5560(14) -0.0391(12) 0.6177(9) 0.041(3) Uani d 1
H H32A 0.5361 -0.1102 0.5885 0.049 Uiso calc 1
C C33 0.6784(14) 0.0481(12) 0.6453(9) 0.041(3) Uani d 1
H H33A 0.7442 0.0383 0.6346 0.049 Uiso calc 1
C C34 0.7058(13) 0.1504(12) 0.6887(9) 0.037(3) Uani d 1
H H34A 0.7910 0.2109 0.7080 0.045 Uiso calc 1
C C35 0.6104(12) 0.1661(11) 0.7047(8) 0.030(3) Uani d 1
C C36 0.6321(13) 0.2746(10) 0.7498(8) 0.031(3) Uani d 1
C C37 0.7444(14) 0.3679(12) 0.7735(10) 0.044(4) Uani d 1
H H37A 0.8153 0.3651 0.7651 0.053 Uiso calc 1
C C38 0.7586(15) 0.4671(13) 0.8094(10) 0.048(4) Uani d 1
H H38A 0.8372 0.5334 0.8247 0.057 Uiso calc 1
C C39 0.6544(15) 0.4671(12) 0.8227(9) 0.045(3) Uani d 1
H H39A 0.6601 0.5334 0.8492 0.053 Uiso calc 1
C C40 0.5423(16) 0.3686(12) 0.7964(10) 0.049(4) Uani d 1
H H40A 0.4692 0.3695 0.8024 0.058 Uiso calc 1
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'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 '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'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
C1 Ag1 O1 . . 140.4(4)
C1 Ag1 O6 . 2_557 119.1(4)
O1 Ag1 O6 . 2_557 93.4(3)
C1 Ag1 O3 . . 116.2(4)
O1 Ag1 O3 . . 74.5(3)
O6 Ag1 O3 2_557 . 101.1(3)
C1 Ag1 Ag3 . . 50.0(3)
O1 Ag1 Ag3 . . 169.1(2)
O6 Ag1 Ag3 2_557 . 80.1(2)
O3 Ag1 Ag3 . . 98.0(2)
C1 Ag1 Ag2 . . 62.7(3)
O1 Ag1 Ag2 . . 83.0(2)
O6 Ag1 Ag2 2_557 . 118.2(2)
O3 Ag1 Ag2 . . 135.7(2)
Ag3 Ag1 Ag2 . . 107.83(4)
C1 Ag1 Ag4 . . 54.5(3)
O1 Ag1 Ag4 . . 98.1(2)
O6 Ag1 Ag4 2_557 . 165.7(2)
O3 Ag1 Ag4 . . 74.1(2)
Ag3 Ag1 Ag4 . . 87.23(4)
Ag2 Ag1 Ag4 . . 71.88(4)
C1 Ag1 Ag2 . 2_557 53.9(3)
O1 Ag1 Ag2 . 2_557 124.7(2)
O6 Ag1 Ag2 2_557 2_557 74.5(2)
O3 Ag1 Ag2 . 2_557 160.1(2)
Ag3 Ag1 Ag2 . 2_557 62.27(3)
Ag2 Ag1 Ag2 . 2_557 59.11(4)
Ag4 Ag1 Ag2 . 2_557 105.26(4)
O5 Ag2 O2 . . 99.1(3)
O5 Ag2 C1 . 2_557 120.3(4)
O2 Ag2 C1 . 2_557 97.1(4)
O5 Ag2 Ag2 . 2_557 133.9(2)
O2 Ag2 Ag2 . 2_557 127.0(2)
C1 Ag2 Ag2 2_557 2_557 61.1(3)
O5 Ag2 Ag1 . . 137.8(2)
O2 Ag2 Ag1 . . 79.7(2)
C1 Ag2 Ag1 2_557 . 101.5(3)
Ag2 Ag2 Ag1 2_557 . 61.29(4)
O5 Ag2 Ag1 . 2_557 87.1(2)
O2 Ag2 Ag1 . 2_557 139.9(3)
C1 Ag2 Ag1 2_557 2_557 48.0(3)
Ag2 Ag2 Ag1 2_557 2_557 59.60(3)
Ag1 Ag2 Ag1 . 2_557 120.89(4)
O5 Ag2 Ag3 . 2_557 78.1(2)
O2 Ag2 Ag3 . 2_557 85.7(2)
C1 Ag2 Ag3 2_557 2_557 46.5(3)
Ag2 Ag2 Ag3 2_557 2_557 103.79(5)
Ag1 Ag2 Ag3 . 2_557 142.82(4)
Ag1 Ag2 Ag3 2_557 2_557 56.61(3)
C1 Ag3 N1 . . 147.3(4)
C1 Ag3 N2 . . 140.2(4)
N1 Ag3 N2 . . 72.2(4)
C1 Ag3 Ag1 . . 51.3(3)
N1 Ag3 Ag1 . . 99.4(2)
N2 Ag3 Ag1 . . 149.3(3)
C1 Ag3 Ag2 . 2_557 53.6(3)
N1 Ag3 Ag2 . 2_557 130.7(3)
N2 Ag3 Ag2 . 2_557 101.3(3)
Ag1 Ag3 Ag2 . 2_557 61.11(3)
O4 Ag4 C2 . . 158.5(4)
O4 Ag4 C9 . . 128.7(3)
C2 Ag4 C9 . . 72.7(4)
O4 Ag4 C1 . . 128.9(4)
C2 Ag4 C1 . . 29.7(4)
C9 Ag4 C1 . . 102.4(4)
O4 Ag4 C10 . . 99.5(3)
C2 Ag4 C10 . . 101.8(4)
C9 Ag4 C10 . . 29.3(4)
C1 Ag4 C10 . . 131.5(4)
O4 Ag4 Ag1 . . 81.4(2)
C2 Ag4 Ag1 . . 77.4(3)
C9 Ag4 Ag1 . . 147.6(2)
C1 Ag4 Ag1 . . 48.6(3)
C10 Ag4 Ag1 . . 165.2(3)
O4 Ag4 Ag5 . . 56.6(2)
C2 Ag4 Ag5 . . 144.8(3)
C9 Ag4 Ag5 . . 72.5(2)
C1 Ag4 Ag5 . . 173.1(3)
C10 Ag4 Ag5 . . 43.8(3)
Ag1 Ag4 Ag5 . . 137.65(4)
O7 Ag5 C10 . . 159.7(4)
O7 Ag5 Ag7 . . 109.2(3)
C10 Ag5 Ag7 . . 51.2(3)
O7 Ag5 Ag6 . 2_556 81.0(2)
C10 Ag5 Ag6 . 2_556 108.5(3)
Ag7 Ag5 Ag6 . 2_556 107.75(5)
O7 Ag5 Ag6 . . 138.6(2)
C10 Ag5 Ag6 . . 52.7(3)
Ag7 Ag5 Ag6 . . 82.65(5)
Ag6 Ag5 Ag6 2_556 . 57.77(4)
O7 Ag5 Ag4 . . 138.0(3)
C10 Ag5 Ag4 . . 51.5(3)
Ag7 Ag5 Ag4 . . 95.66(4)
Ag6 Ag5 Ag4 2_556 . 123.51(5)
Ag6 Ag5 Ag4 . . 76.15(4)
O9 Ag6 O10 . 2_556 158.1(6)
O9 Ag6 O8 . 2_556 96.2(5)
O10 Ag6 O8 2_556 2_556 94.8(5)
O9 Ag6 C10 . . 95.5(6)
O10 Ag6 C10 2_556 . 96.3(7)
O8 Ag6 C10 2_556 . 117.1(3)
O9 Ag6 Ag6 . 2_556 78.6(3)
O10 Ag6 Ag6 2_556 2_556 80.9(4)
O8 Ag6 Ag6 2_556 2_556 141.1(2)
C10 Ag6 Ag6 . 2_556 101.9(3)
O9 Ag6 Ag5 . 2_556 70.9(5)
O10 Ag6 Ag5 2_556 2_556 92.8(6)
O8 Ag6 Ag5 2_556 2_556 79.0(2)
C10 Ag6 Ag5 . 2_556 160.7(3)
Ag6 Ag6 Ag5 2_556 2_556 62.73(4)
O9 Ag6 Ag5 . . 97.4(4)
O10 Ag6 Ag5 2_556 . 78.6(5)
O8 Ag6 Ag5 2_556 . 157.7(2)
C10 Ag6 Ag5 . . 44.0(2)
Ag6 Ag6 Ag5 2_556 . 59.51(4)
Ag5 Ag6 Ag5 2_556 . 122.24(4)
C10 Ag7 N3 . . 157.7(4)
C10 Ag7 N4 . . 129.0(4)
N3 Ag7 N4 . . 73.0(4)
C10 Ag7 Ag5 . . 51.0(3)
N3 Ag7 Ag5 . . 106.7(3)
N4 Ag7 Ag5 . . 171.0(3)
C2 C1 Ag3 . . 130.4(9)
C2 C1 Ag1 . . 144.4(9)
Ag3 C1 Ag1 . . 78.7(4)
C2 C1 Ag4 . . 71.4(7)
Ag3 C1 Ag4 . . 117.0(5)
Ag1 C1 Ag4 . . 76.9(3)
C2 C1 Ag2 . 2_557 121.8(9)
Ag3 C1 Ag2 . 2_557 79.9(4)
Ag1 C1 Ag2 . 2_557 78.1(4)
Ag4 C1 Ag2 . 2_557 145.9(5)
C1 C2 C3 . . 167.7(11)
C1 C2 Ag4 . . 78.9(7)
C3 C2 Ag4 . . 113.1(7)
C8 C3 C2 . . 121.4(10)
C8 C3 C4 . . 122.8(10)
C2 C3 C4 . . 115.8(9)
C3 C4 C5 . . 110.3(10)
C3 C4 H4A . . 109.6
C5 C4 H4A . . 109.6
C3 C4 H4B . . 109.6
C5 C4 H4B . . 109.6
H4A C4 H4B . . 108.1
C6 C5 C4 . . 114.7(12)
C6 C5 H5A . . 108.6
C4 C5 H5A . . 108.6
C6 C5 H5B . . 108.6
C4 C5 H5B . . 108.6
H5A C5 H5B . . 107.6
C5 C6 C7 . . 109.7(13)
C5 C6 H6A . . 109.7
C7 C6 H6A . . 109.7
C5 C6 H6B . . 109.7
C7 C6 H6B . . 109.7
H6A C6 H6B . . 108.2
C8 C7 C6 . . 112.9(10)
C8 C7 H7A . . 109.0
C6 C7 H7A . . 109.0
C8 C7 H7B . . 109.0
C6 C7 H7B . . 109.0
H7A C7 H7B . . 107.8
C3 C8 C9 . . 120.7(10)
C3 C8 C7 . . 122.9(10)
C9 C8 C7 . . 116.4(10)
C10 C9 C8 . . 170.7(12)
C10 C9 Ag4 . . 77.3(8)
C8 C9 Ag4 . . 111.9(7)
C9 C10 Ag5 . . 154.3(10)
C9 C10 Ag7 . . 127.9(9)
Ag5 C10 Ag7 . . 77.7(4)
C9 C10 Ag4 . . 73.4(7)
Ag5 C10 Ag4 . . 84.8(4)
Ag7 C10 Ag4 . . 139.5(5)
C9 C10 Ag6 . . 88.0(8)
Ag5 C10 Ag6 . . 83.3(4)
Ag7 C10 Ag6 . . 111.7(4)
Ag4 C10 Ag6 . . 102.1(4)
C11 O1 Ag1 . . 123.0(8)
C11 O2 Ag2 . . 124.1(8)
O1 C11 O2 . . 129.4(12)
O1 C11 C12 . . 114.1(11)
O2 C11 C12 . . 116.4(11)
F3 C12 F1 . . 107.6(8)
F3 C12 F2 . . 108.6(9)
F1 C12 F2 . . 106.6(8)
F3 C12 C11 . . 112.5(10)
F1 C12 C11 . . 111.2(9)
F2 C12 C11 . . 110.1(9)
C13 O3 Ag1 . . 116.3(7)
C13 O4 Ag4 . . 119.8(7)
O3 C13 O4 . . 127.7(11)
O3 C13 C14 . . 118.8(10)
O4 C13 C14 . . 113.5(9)
F5 C14 F4 . . 107.8(8)
F5 C14 F6 . . 108.2(8)
F4 C14 F6 . . 107.5(8)
F5 C14 C13 . . 112.6(9)
F4 C14 C13 . . 111.9(9)
F6 C14 C13 . . 108.7(8)
C15 O5 Ag2 . . 119.0(7)
C15 O6 Ag1 . 2_557 128.8(8)
O5 C15 O6 . . 127.5(12)
O5 C15 C16 . . 115.8(9)
O6 C15 C16 . . 116.6(10)
F9 C16 F8 . . 107.6(9)
F9 C16 F7 . . 106.2(8)
F8 C16 F7 . . 106.9(8)
F9 C16 C15 . . 110.7(9)
F8 C16 C15 . . 114.0(9)
F7 C16 C15 . . 111.2(9)
C17 O7 Ag5 . . 127.9(8)
C17 O8 Ag6 . 2_556 122.8(8)
O8 C17 O7 . . 128.9(12)
O8 C17 C18 . . 117.7(10)
O7 C17 C18 . . 113.4(10)
F10 C18 F12 . . 108.0(8)
F10 C18 F11 . . 107.4(8)
F12 C18 F11 . . 106.9(8)
F10 C18 C17 . . 111.5(9)
F12 C18 C17 . . 112.6(9)
F11 C18 C17 . . 110.1(9)
C19 O9 Ag6 . . 129.3(13)
C19 O10 Ag6 . 2_556 124.6(13)
O9 C19 O10 . . 123(2)
O9 C19 C20 . . 123.1(16)
O10 C19 C20 . . 113.2(15)
F14 C20 F13 . . 110.5(10)
F14 C20 F15 . . 108.2(10)
F13 C20 F15 . . 107.4(9)
F14 C20 C19 . . 110.5(12)
F13 C20 C19 . . 107.8(12)
F15 C20 C19 . . 112.4(13)
C25 N1 C21 . . 117.3(11)
C25 N1 Ag3 . . 118.7(8)
C21 N1 Ag3 . . 123.7(9)
C30 N2 C26 . . 120.1(12)
C30 N2 Ag3 . . 124.6(10)
C26 N2 Ag3 . . 115.3(8)
N1 C21 C22 . . 122.5(13)
N1 C21 H21A . . 118.7
C22 C21 H21A . . 118.7
C23 C22 C21 . . 119.4(14)
C23 C22 H22A . . 120.3
C21 C22 H22A . . 120.3
C22 C23 C24 . . 118.2(15)
C22 C23 H23A . . 120.9
C24 C23 H23A . . 120.9
C25 C24 C23 . . 119.7(14)
C25 C24 H24A . . 120.1
C23 C24 H24A . . 120.1
N1 C25 C24 . . 122.8(12)
N1 C25 C26 . . 114.7(11)
C24 C25 C26 . . 122.4(11)
N2 C26 C27 . . 118.7(12)
N2 C26 C25 . . 119.0(10)
C27 C26 C25 . . 122.2(12)
C28 C27 C26 . . 118.6(14)
C28 C27 H27A . . 120.7
C26 C27 H27A . . 120.7
C29 C28 C27 . . 122.2(13)
C29 C28 H28A . . 118.9
C27 C28 H28A . . 118.9
C28 C29 C30 . . 116.7(14)
C28 C29 H29A . . 121.6
C30 C29 H29A . . 121.6
N2 C30 C29 . . 123.5(15)
N2 C30 H30A . . 118.2
C29 C30 H30A . . 118.2
C31 N3 C35 . . 118.2(10)
C31 N3 Ag7 . . 124.7(8)
C35 N3 Ag7 . . 117.1(7)
C40 N4 C36 . . 116.0(12)
C40 N4 Ag7 . . 125.4(9)
C36 N4 Ag7 . . 118.1(8)
N3 C31 C32 . . 122.8(13)
N3 C31 H31A . . 118.6
C32 C31 H31A . . 118.6
C33 C32 C31 . . 119.1(13)
C33 C32 H32A . . 120.5
C31 C32 H32A . . 120.5
C32 C33 C34 . . 119.6(12)
C32 C33 H33A . . 120.2
C34 C33 H33A . . 120.2
C33 C34 C35 . . 120.9(13)
C33 C34 H34A . . 119.6
C35 C34 H34A . . 119.6
N3 C35 C34 . . 119.4(11)
N3 C35 C36 . . 116.7(10)
C34 C35 C36 . . 123.9(12)
C37 C36 N4 . . 122.6(12)
C37 C36 C35 . . 122.5(12)
N4 C36 C35 . . 115.0(11)
C36 C37 C38 . . 121.2(14)
C36 C37 H37A . . 119.4
C38 C37 H37A . . 119.4
C37 C38 C39 . . 117.5(14)
C37 C38 H38A . . 121.2
C39 C38 H38A . . 121.2
C40 C39 C38 . . 118.1(13)
C40 C39 H39A . . 121.0
C38 C39 H39A . . 121.0
N4 C40 C39 . . 124.5(14)
N4 C40 H40A . . 117.7
C39 C40 H40A . . 117.7
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
Ag1 C1 . 2.251(12)
Ag1 O1 . 2.274(8)
Ag1 O6 2_557 2.366(9)
Ag1 O3 . 2.441(9)
Ag1 Ag3 . 2.8278(13)
Ag1 Ag2 . 2.9159(14)
Ag1 Ag4 . 2.9250(13)
Ag1 Ag2 2_557 2.9653(13)
Ag2 O5 . 2.261(9)
Ag2 O2 . 2.326(9)
Ag2 C1 2_557 2.450(12)
Ag2 Ag2 2_557 2.9013(19)
Ag2 Ag1 2_557 2.9653(13)
Ag2 Ag3 2_557 2.9977(16)
Ag3 C1 . 2.208(13)
Ag3 N1 . 2.291(10)
Ag3 N2 . 2.305(10)
Ag3 Ag2 2_557 2.9978(16)
Ag4 O4 . 2.196(8)
Ag4 C2 . 2.362(10)
Ag4 C9 . 2.410(12)
Ag4 C1 . 2.446(11)
Ag4 C10 . 2.453(11)
Ag4 Ag5 . 3.1223(14)
Ag5 O7 . 2.147(8)
Ag5 C10 . 2.168(11)
Ag5 Ag7 . 2.7249(15)
Ag5 Ag6 2_556 3.0051(17)
Ag5 Ag6 . 3.0996(15)
Ag6 O9 . 2.250(14)
Ag6 O10 2_556 2.283(18)
Ag6 O8 2_556 2.325(9)
Ag6 C10 . 2.482(11)
Ag6 Ag6 2_556 2.950(2)
Ag6 Ag5 2_556 3.0051(17)
Ag7 C10 . 2.174(11)
Ag7 N3 . 2.242(9)
Ag7 N4 . 2.282(12)
C1 C2 . 1.235(17)
C1 Ag2 2_557 2.450(12)
C2 C3 . 1.436(16)
C3 C8 . 1.346(15)
C3 C4 . 1.527(15)
C4 C5 . 1.54(2)
C4 H4A . 0.9900
C4 H4B . 0.9900
C5 C6 . 1.44(2)
C5 H5A . 0.9900
C5 H5B . 0.9900
C6 C7 . 1.554(18)
C6 H6A . 0.9900
C6 H6B . 0.9900
C7 C8 . 1.482(16)
C7 H7A . 0.9900
C7 H7B . 0.9900
C8 C9 . 1.434(15)
C9 C10 . 1.231(15)
O1 C11 . 1.229(15)
O2 C11 . 1.239(16)
C11 C12 . 1.563(16)
C12 F3 . 1.296(9)
C12 F1 . 1.298(9)
C12 F2 . 1.301(9)
O3 C13 . 1.231(14)
O4 C13 . 1.262(14)
C13 C14 . 1.546(15)
C14 F5 . 1.298(9)
C14 F4 . 1.303(9)
C14 F6 . 1.305(9)
O5 C15 . 1.248(14)
O6 C15 . 1.260(13)
O6 Ag1 2_557 2.366(9)
C15 C16 . 1.525(16)
C16 F9 . 1.299(9)
C16 F8 . 1.302(9)
C16 F7 . 1.306(9)
O7 C17 . 1.267(14)
O8 C17 . 1.210(16)
O8 Ag6 2_556 2.325(9)
C17 C18 . 1.551(15)
C18 F10 . 1.300(8)
C18 F12 . 1.307(9)
C18 F11 . 1.310(9)
O9 C19 . 1.206(19)
O10 C19 . 1.26(2)
O10 Ag6 2_556 2.283(18)
C19 C20 . 1.55(2)
C20 F14 . 1.280(10)
C20 F13 . 1.297(10)
C20 F15 . 1.306(10)
N1 C25 . 1.340(15)
N1 C21 . 1.362(16)
N2 C30 . 1.312(18)
N2 C26 . 1.355(17)
C21 C22 . 1.40(2)
C21 H21A . 0.9500
C22 C23 . 1.36(2)
C22 H22A . 0.9500
C23 C24 . 1.40(2)
C23 H23A . 0.9500
C24 C25 . 1.372(19)
C24 H24A . 0.9500
C25 C26 . 1.489(17)
C26 C27 . 1.421(17)
C27 C28 . 1.38(2)
C27 H27A . 0.9500
C28 C29 . 1.32(2)
C28 H28A . 0.9500
C29 C30 . 1.41(2)
C29 H29A . 0.9500
C30 H30A . 0.9500
N3 C31 . 1.366(15)
N3 C35 . 1.390(16)
N4 C40 . 1.331(17)
N4 C36 . 1.354(16)
C31 C32 . 1.376(18)
C31 H31A . 0.9500
C32 C33 . 1.37(2)
C32 H32A . 0.9500
C33 C34 . 1.380(19)
C33 H33A . 0.9500
C34 C35 . 1.392(17)
C34 H34A . 0.9500
C35 C36 . 1.494(17)
C36 C37 . 1.342(19)
C37 C38 . 1.37(2)
C37 H37A . 0.9500
C38 C39 . 1.38(2)
C38 H38A . 0.9500
C39 C40 . 1.37(2)
C39 H39A . 0.9500
C40 H40A . 0.9500
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_site_symmetry_1
_geom_torsion
Ag3 C1 C2 C3 . 60(6)
Ag1 C1 C2 C3 . -161(4)
Ag4 C1 C2 C3 . 170(5)
Ag2 C1 C2 C3 2_557 -45(6)
Ag3 C1 C2 Ag4 . -110.0(10)
Ag1 C1 C2 Ag4 . 28.4(15)
Ag2 C1 C2 Ag4 2_557 145.0(8)
C1 C2 C3 C8 . -169(5)
Ag4 C2 C3 C8 . 0.2(13)
C1 C2 C3 C4 . 10(6)
Ag4 C2 C3 C4 . 179.5(8)
C8 C3 C4 C5 . -10.9(16)
C2 C3 C4 C5 . 169.8(11)
C3 C4 C5 C6 . 43.4(17)
C4 C5 C6 C7 . -60.9(18)
C5 C6 C7 C8 . 45.3(17)
C2 C3 C8 C9 . -4.2(17)
C4 C3 C8 C9 . 176.5(10)
C2 C3 C8 C7 . 177.8(10)
C4 C3 C8 C7 . -1.5(17)
C6 C7 C8 C3 . -15.3(17)
C6 C7 C8 C9 . 166.7(11)
C3 C8 C9 Ag4 . 5.8(13)
C7 C8 C9 Ag4 . -176.1(8)
Ag4 C9 C10 Ag5 . 33(2)
Ag4 C9 C10 Ag7 . -140.6(9)
Ag4 C9 C10 Ag6 . 103.2(3)
Ag1 O1 C11 O2 . -1.3(19)
Ag1 O1 C11 C12 . -178.7(6)
Ag2 O2 C11 O1 . 9(2)
Ag2 O2 C11 C12 . -173.5(7)
O1 C11 C12 F3 . 172.1(11)
O2 C11 C12 F3 . -5.7(15)
O1 C11 C12 F1 . 51.3(14)
O2 C11 C12 F1 . -126.5(12)
O1 C11 C12 F2 . -66.6(13)
O2 C11 C12 F2 . 115.6(12)
Ag1 O3 C13 O4 . -28.8(16)
Ag1 O3 C13 C14 . 148.6(7)
Ag4 O4 C13 O3 . -12.9(16)
Ag4 O4 C13 C14 . 169.6(6)
O3 C13 C14 F5 . 130.2(11)
O4 C13 C14 F5 . -52.1(12)
O3 C13 C14 F4 . 8.6(14)
O4 C13 C14 F4 . -173.7(9)
O3 C13 C14 F6 . -109.9(11)
O4 C13 C14 F6 . 67.8(12)
Ag2 O5 C15 O6 . -4.6(17)
Ag2 O5 C15 C16 . 173.5(6)
Ag1 O6 C15 O5 2_557 20.1(19)
Ag1 O6 C15 C16 2_557 -158.0(7)
O5 C15 C16 F9 . 56.5(13)
O6 C15 C16 F9 . -125.2(11)
O5 C15 C16 F8 . 177.9(11)
O6 C15 C16 F8 . -3.8(14)
O5 C15 C16 F7 . -61.2(13)
O6 C15 C16 F7 . 117.1(11)
Ag6 O8 C17 O7 2_556 -5(2)
Ag6 O8 C17 C18 2_556 175.2(8)
Ag5 O7 C17 O8 . -1(2)
Ag5 O7 C17 C18 . 179.0(7)
O8 C17 C18 F10 . -4.3(16)
O7 C17 C18 F10 . 175.7(10)
O8 C17 C18 F12 . -126.0(13)
O7 C17 C18 F12 . 54.0(14)
O8 C17 C18 F11 . 114.8(13)
O7 C17 C18 F11 . -65.3(13)
Ag6 O9 C19 O10 . 23(3)
Ag6 O9 C19 C20 . -165.9(12)
Ag6 O10 C19 O9 2_556 -9(3)
Ag6 O10 C19 C20 2_556 179.3(12)
O9 C19 C20 F14 . -12(2)
O10 C19 C20 F14 . 159.2(17)
O9 C19 C20 F13 . 108.5(19)
O10 C19 C20 F13 . -80.0(19)
O9 C19 C20 F15 . -133.4(18)
O10 C19 C20 F15 . 38(2)
C25 N1 C21 C22 . 0.3(19)
Ag3 N1 C21 C22 . 174.4(10)
N1 C21 C22 C23 . 0(2)
C21 C22 C23 C24 . 0(2)
C22 C23 C24 C25 . 0(2)
C21 N1 C25 C24 . 0.1(18)
Ag3 N1 C25 C24 . -174.3(10)
C21 N1 C25 C26 . 176.4(11)
Ag3 N1 C25 C26 . 2.0(13)
C23 C24 C25 N1 . 0(2)
C23 C24 C25 C26 . -176.4(12)
C30 N2 C26 C27 . 1(2)
Ag3 N2 C26 C27 . -177.8(9)
C30 N2 C26 C25 . -177.6(13)
Ag3 N2 C26 C25 . 3.3(15)
N1 C25 C26 N2 . -3.5(16)
C24 C25 C26 N2 . 172.8(12)
N1 C25 C26 C27 . 177.6(11)
C24 C25 C26 C27 . -6.1(19)
N2 C26 C27 C28 . -2.7(19)
C25 C26 C27 C28 . 176.2(12)
C26 C27 C28 C29 . 2(2)
C27 C28 C29 C30 . 1(2)
C26 N2 C30 C29 . 1(2)
Ag3 N2 C30 C29 . -179.8(11)
C28 C29 C30 N2 . -2(2)
C35 N3 C31 C32 . 3(2)
Ag7 N3 C31 C32 . -176.5(10)
N3 C31 C32 C33 . -2(2)
C31 C32 C33 C34 . 1(2)
C32 C33 C34 C35 . 0(2)
C31 N3 C35 C34 . -1.7(18)
Ag7 N3 C35 C34 . 177.5(9)
C31 N3 C35 C36 . 177.7(11)
Ag7 N3 C35 C36 . -3.2(14)
C33 C34 C35 N3 . 0(2)
C33 C34 C35 C36 . -178.8(12)
C40 N4 C36 C37 . 3.6(19)
Ag7 N4 C36 C37 . 176.1(10)
C40 N4 C36 C35 . -174.8(12)
Ag7 N4 C36 C35 . -2.3(14)
N3 C35 C36 C37 . -174.9(12)
C34 C35 C36 C37 . 4(2)
N3 C35 C36 N4 . 3.6(16)
C34 C35 C36 N4 . -177.1(12)
N4 C36 C37 C38 . -3(2)
C35 C36 C37 C38 . 175.7(13)
C36 C37 C38 C39 . 2(2)
C37 C38 C39 C40 . -2(2)
C36 N4 C40 C39 . -4(2)
Ag7 N4 C40 C39 . -176.0(12)
C38 C39 C40 N4 . 4(2)
