#------------------------------------------------------------------------------
#$Date: 2019-11-25 17:23:54 +0200 (Mon, 25 Nov 2019) $
#$Revision: 241445 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/13/11/4131165.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_4131165
loop_
_publ_author_name
'Aghabali, Amineh'
'Jun, Sharon'
'Olmstead, Marilyn M.'
'Balch, Alan L.'
_publ_section_title
;
 Silver(I)-Mediated Modification, Dimerization, and Polymerization of an
 Open-Cage Fullerene.
;
_journal_issue                   50
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              16459
_journal_page_last               16465
_journal_paper_doi               10.1021/jacs.6b10394
_journal_volume                  138
_journal_year                    2016
_chemical_formula_moiety
'C87 H29 Ag2 F3 N2 O9, 1.5(C H2 Cl2), C0.5 H1.25 Cl'
_chemical_formula_sum            'C89 H33.25 Ag2 Cl4 F3 N2 O9'
_chemical_formula_weight         1688.96
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_date             2016-04-14
_audit_creation_method
;
Olex2 1.2
(compiled 2016.02.19 svn.r3266 for OlexSys, GUI svn.r5155)
;
_cell_angle_alpha                90
_cell_angle_beta                 109.893(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   24.5549(12)
_cell_length_b                   13.8358(7)
_cell_length_c                   20.0110(9)
_cell_measurement_reflns_used    9393
_cell_measurement_temperature    90(2)
_cell_measurement_theta_max      73.14
_cell_measurement_theta_min      3.83
_cell_volume                     6392.8(5)
_computing_cell_refinement       'SAINT (Bruker, 2014)'
_computing_data_collection       'Apex2 (Bruker, 2014)'
_computing_data_reduction        'SAINT (Bruker, 2014)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'XT (Sheldrick, 2013)'
_diffrn_ambient_temperature      90(2)
_diffrn_measured_fraction_theta_full 0.977
_diffrn_measured_fraction_theta_max 0.975
_diffrn_measurement_device_type  'Bruker APEX-DUO'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0445
_diffrn_reflns_av_unetI/netI     0.0433
_diffrn_reflns_Laue_measured_fraction_full 0.977
_diffrn_reflns_Laue_measured_fraction_max 0.975
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            36485
_diffrn_reflns_point_group_measured_fraction_full 0.977
_diffrn_reflns_point_group_measured_fraction_max 0.975
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         68.236
_diffrn_reflns_theta_min         3.724
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    7.130
_exptl_absorpt_correction_T_max  0.6155
_exptl_absorpt_correction_T_min  0.3972
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2012)'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.755
_exptl_crystal_description       block
_exptl_crystal_F_000             3369
_exptl_crystal_size_max          0.196
_exptl_crystal_size_mid          0.113
_exptl_crystal_size_min          0.063
_refine_diff_density_max         4.574
_refine_diff_density_min         -3.169
_refine_diff_density_rms         0.198
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.090
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1012
_refine_ls_number_reflns         11417
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      1.093
_refine_ls_R_factor_all          0.1019
_refine_ls_R_factor_gt           0.0964
_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)+(0.1195P)²+94.5528P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2541
_refine_ls_wR_factor_ref         0.2587
_reflns_Friedel_coverage         0.000
_reflns_number_gt                10408
_reflns_number_total             11417
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            ja6b10394_si_003.cif
_cod_data_source_block           aa100
_cod_database_code               4131165
_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_max   0.662
_shelx_estimated_absorpt_t_min   0.335
_olex2_refinement_description
;
1. Others
 Fixed Sof: Cl1(0.5) Cl2(0.5) C86(0.5) H86A(0.5) H86B(0.5) C90(0.5) Cl5A(0.25)
 Cl6A(0.25) H90A(0.5) H90B(0.25) Cl5B(0.25) Cl6B(0.25) H90C(0.25) H90D(0.25)
 Fixed Uiso: H65(0.037) H66(0.046) H67(0.053) H68(0.043) H70(0.051) H71(0.062)
 H72(0.055) H73(0.053) H74(0.041) H76(0.046) H77(0.058) H78(0.068) H79(0.063)
 H80(0.053) H81A(0.041) H81B(0.041) H81C(0.041) H82A(0.05) H82B(0.05)
 H82C(0.05) H83A(0.07) H83B(0.07) H83C(0.07) H84A(0.052) H84B(0.052)
 H84C(0.052) H85A(0.048) H85B(0.048) H85C(0.048) H86A(0.095) H86B(0.095)
 H87A(0.077) H87B(0.077) H90A(0.079) H90B(0.079) H90C(0.036) H90D(0.036)
 Fixed X: H65(0.6845) H66(0.6606) H67(0.6574) H68(0.6722) H70(0.5776)
 H71(0.5261) H72(0.5485) H73(0.6205) H74(0.6734) H76(0.6156) H77(0.5214)
 H78(0.4519) H79(0.4761) H80(0.5684) H81A(0.9317) H81B(0.9249) H81C(0.8711)
 H82A(1.0355) H82B(0.9936) H82C(1.0576) H83A(1.076) H83B(1.0877) H83C(1.1266)
 H84A(0.9046) H84B(0.9503) H84C(0.9725) H85A(0.8668) H85B(0.8083) H85C(0.8194)
 H86A(0.4357) H86B(0.4473) H87A(0.7379) H87B(0.7863) H90A(0.5751) H90B(0.5513)
 H90C(0.5625) H90D(0.5556)
 Fixed Y: H65(0.5516) H66(0.6904) H67(0.8408) H68(0.8431) H70(0.5858)
 H71(0.6278) H72(0.5561) H73(0.4366) H74(0.3992) H76(0.2478) H77(0.1894)
 H78(0.2245) H79(0.3222) H80(0.3864) H81A(0.535) H81B(0.5711) H81C(0.5778)
 H82A(0.1682) H82B(0.2158) H82C(0.2574) H83A(0.2273) H83B(0.1783) H83C(0.2674)
 H84A(0.5283) H84B(0.4428) H84C(0.5515) H85A(0.7187) H85B(0.7038) H85C(0.6425)
 H86A(-0.2558) H86B(-0.3114) H87A(0.7267) H87B(0.6842) H90A(0.0085)
 H90B(0.1131) H90C(0.012) H90D(0.1155)
 Fixed Z: H65(0.2325) H66(0.1611) H67(0.2164) H68(0.3358) H70(0.4321)
 H71(0.5064) H72(0.6181) H73(0.6516) H74(0.5786) H76(0.4964) H77(0.469)
 H78(0.3578) H79(0.2767) H80(0.3065) H81A(0.5938) H81B(0.6666) H81C(0.5939)
 H82A(0.677) H82B(0.7141) H82C(0.7303) H83A(0.403) H83B(0.479) H83C(0.4711)
 H84A(0.2279) H84B(0.2358) H84C(0.2545) H85A(0.3369) H85B(0.354) H85C(0.2921)
 H86A(0.2972) H86B(0.3707) H87A(0.6152) H87B(0.5861) H90A(0.3555) H90B(0.3443)
 H90C(0.3674) H90D(0.3354)
;
_shelx_shelxl_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 1.02849(2) 0.43351(4) 0.55467(3) 0.02395(19) Uani 1 1 d . . . . .
Ag2 Ag 0.67835(4) 0.69658(6) 0.46616(4) 0.0476(2) Uani 1 1 d . . . . .
N1 N 0.6918(3) 0.7045(6) 0.3555(4) 0.0319(16) Uani 1 1 d . . . . .
N2 N 0.6848(3) 0.5416(5) 0.4287(4) 0.0264(15) Uani 1 1 d . . . . .
O1 O 0.7948(2) 0.6144(4) 0.4699(3) 0.0279(12) Uani 1 1 d . . . . .
O2 O 0.7694(2) 0.4928(4) 0.5634(3) 0.0276(12) Uani 1 1 d . . . . .
O3 O 0.8876(2) 0.4467(4) 0.6326(3) 0.0241(12) Uani 1 1 d . . . . .
O4 O 1.0024(2) 0.2949(5) 0.6352(3) 0.0279(13) Uani 1 1 d . . . . .
O5 O 1.0477(2) 0.3053(4) 0.4680(3) 0.0255(12) Uani 1 1 d . . . . .
O6 O 0.9463(2) 0.4895(4) 0.3279(3) 0.0266(12) Uani 1 1 d . . . . .
O7 O 0.8652(2) 0.5972(4) 0.3893(3) 0.0241(12) Uani 1 1 d . . . . .
O8 O 0.6384(5) 0.8958(8) 0.4366(5) 0.073(3) Uani 1 1 d . . . . .
O9 O 0.6580(5) 0.8065(6) 0.5335(4) 0.063(2) Uani 1 1 d . . . . .
F1 F 0.6734(5) 0.9940(7) 0.5942(5) 0.089(3) Uani 1 1 d . . . . .
F2 F 0.5883(5) 0.9393(7) 0.5669(7) 0.104(4) Uani 1 1 d . U . . .
F3 F 0.6097(4) 1.0428(6) 0.4995(5) 0.083(3) Uani 1 1 d . . . . .
Cl1 Cl 0.5265(3) -0.2209(5) 0.3746(4) 0.0683(17) Uani 0.5 1 d . . P . .
Cl2 Cl 0.4141(4) -0.1724(10) 0.3718(5) 0.114(4) Uani 0.5 1 d . . P . .
Cl3 Cl 0.81340(16) 0.6682(2) 0.70443(16) 0.0629(8) Uani 1 1 d . . . . .
Cl4 Cl 0.8077(2) 0.8428(3) 0.6226(3) 0.0905(13) Uani 1 1 d . . . . .
C1 C 0.7084(3) 0.2957(6) 0.4726(5) 0.0256(17) Uani 1 1 d . . . . .
C2 C 0.6827(3) 0.3635(6) 0.3579(4) 0.0244(16) Uani 1 1 d . . . . .
C3 C 0.7123(4) 0.4401(6) 0.3431(4) 0.0258(17) Uani 1 1 d . . . . .
C4 C 0.7818(4) 0.5587(6) 0.4205(4) 0.0240(16) Uani 1 1 d . . . . .
C5 C 0.8294(3) 0.5163(6) 0.3938(4) 0.0217(16) Uani 1 1 d . . . . .
C6 C 0.8723(3) 0.4459(6) 0.4448(4) 0.0227(16) Uani 1 1 d . . . . .
C7 C 0.8819(3) 0.3974(6) 0.5111(4) 0.0216(16) Uani 1 1 d . . . . .
C8 C 0.8554(3) 0.3952(6) 0.5703(4) 0.0228(16) Uani 1 1 d . . . . .
C9 C 0.7889(3) 0.4173(6) 0.5515(4) 0.0233(16) Uani 1 1 d . . . . .
C10 C 0.7565(4) 0.3213(6) 0.5291(4) 0.0258(17) Uani 1 1 d . . . . .
C11 C 0.7983(4) 0.2505(6) 0.5644(4) 0.0247(17) Uani 1 1 d . . . . .
C12 C 0.7872(4) 0.1532(7) 0.5515(5) 0.0302(18) Uani 1 1 d . . . . .
C13 C 0.7408(4) 0.1253(6) 0.4897(5) 0.0268(17) Uani 1 1 d . . . . .
C14 C 0.7054(4) 0.1964(7) 0.4448(5) 0.0304(19) Uani 1 1 d . . . . .
C15 C 0.6874(4) 0.1821(7) 0.3680(5) 0.0297(18) Uani 1 1 d . . . . .
C16 C 0.6826(4) 0.2689(7) 0.3260(5) 0.0287(18) Uani 1 1 d . . . . .
C17 C 0.6991(4) 0.2677(7) 0.2659(5) 0.0314(19) Uani 1 1 d . . . . .
C18 C 0.7333(4) 0.3451(7) 0.2528(5) 0.0305(18) Uani 1 1 d . . . . .
C19 C 0.7482(4) 0.4237(6) 0.2997(4) 0.0267(17) Uani 1 1 d . . . . .
C20 C 0.8055(4) 0.4631(6) 0.3215(4) 0.0259(17) Uani 1 1 d . . . . .
C21 C 0.8453(4) 0.4212(6) 0.2959(4) 0.0256(17) Uani 1 1 d . . . . .
C22 C 0.9101(3) 0.4156(6) 0.3396(4) 0.0211(15) Uani 1 1 d . . . . .
C23 C 0.9163(3) 0.4144(6) 0.4176(4) 0.0216(16) Uani 1 1 d . . . . .
C24 C 0.9535(3) 0.3479(6) 0.4669(4) 0.0235(16) Uani 1 1 d . . . . .
C25 C 0.9322(3) 0.3384(6) 0.5237(4) 0.0236(16) Uani 1 1 d . . . . .
C26 C 0.9535(3) 0.2601(6) 0.5782(4) 0.0252(17) Uani 1 1 d . . . . .
C27 C 0.9010(4) 0.2263(6) 0.5970(4) 0.0240(16) Uani 1 1 d . . . . .
C28 C 0.8555(4) 0.2872(6) 0.5890(4) 0.0254(17) Uani 1 1 d . . . . .
C29 C 0.8905(4) 0.1254(7) 0.5815(5) 0.0301(18) Uani 1 1 d . . . . .
C30 C 0.8347(4) 0.0867(6) 0.5609(4) 0.0273(17) Uani 1 1 d . . . . .
C31 C 0.8162(4) 0.0161(7) 0.5071(5) 0.0327(19) Uani 1 1 d . . . . .
C32 C 0.7567(4) 0.0387(7) 0.4624(5) 0.034(2) Uani 1 1 d . . . . .
C33 C 0.7390(4) 0.0233(7) 0.3897(5) 0.0325(19) Uani 1 1 d . . . . .
C34 C 0.7041(4) 0.0956(7) 0.3431(5) 0.0308(19) Uani 1 1 d . . . . .
C35 C 0.7191(4) 0.0945(7) 0.2796(5) 0.0321(19) Uani 1 1 d . . . . .
C36 C 0.7176(4) 0.1789(7) 0.2425(5) 0.0321(19) Uani 1 1 d . . . . .
C37 C 0.7641(4) 0.2025(7) 0.2147(4) 0.0319(19) Uani 1 1 d . . . . .
C38 C 0.7738(4) 0.3053(7) 0.2235(4) 0.0304(19) Uani 1 1 d . . . . .
C39 C 0.8298(4) 0.3422(7) 0.2471(4) 0.0309(19) Uani 1 1 d . . . . .
C40 C 0.8783(4) 0.2770(7) 0.2608(4) 0.0302(19) Uani 1 1 d . . . . .
C41 C 0.9252(4) 0.3124(6) 0.3196(4) 0.0257(17) Uani 1 1 d . . . . .
C42 C 0.9602(4) 0.2499(7) 0.3667(5) 0.0291(18) Uani 1 1 d . . . . .
C43 C 0.9890(3) 0.2726(6) 0.4465(4) 0.0222(16) Uani 1 1 d . . . . .
C44 C 0.9812(3) 0.1751(6) 0.4805(5) 0.0260(17) Uani 1 1 d . . . . .
C45 C 0.9655(3) 0.1690(6) 0.5408(4) 0.0257(17) Uani 1 1 d . . . . .
C46 C 0.9306(4) 0.0901(7) 0.5475(5) 0.0296(18) Uani 1 1 d . . . . .
C47 C 0.9135(4) 0.0178(7) 0.4969(5) 0.0313(19) Uani 1 1 d . . . . .
C48 C 0.8543(4) -0.0212(6) 0.4750(5) 0.0322(19) Uani 1 1 d . . . . .
C49 C 0.8351(4) -0.0383(6) 0.3989(5) 0.033(2) Uani 1 1 d . . . . .
C50 C 0.7775(4) -0.0180(7) 0.3566(5) 0.0333(19) Uani 1 1 d . . . . .
C51 C 0.7661(4) 0.0267(7) 0.2887(5) 0.034(2) Uani 1 1 d . . . . .
C52 C 0.8112(4) 0.0479(7) 0.2641(5) 0.036(2) Uani 1 1 d . . . . .
C53 C 0.8100(4) 0.1388(8) 0.2265(5) 0.035(2) Uani 1 1 d . . . . .
C54 C 0.8687(4) 0.1775(7) 0.2502(5) 0.0320(19) Uani 1 1 d . . . . .
C55 C 0.9057(4) 0.1112(7) 0.2998(5) 0.0321(19) Uani 1 1 d . . . . .
C56 C 0.9501(4) 0.1470(7) 0.3577(5) 0.0307(19) Uani 1 1 d . . . . .
C57 C 0.9623(4) 0.1021(6) 0.4272(5) 0.0268(17) Uani 1 1 d . . . . .
C58 C 0.9294(4) 0.0245(6) 0.4354(5) 0.0288(18) Uani 1 1 d . . . . .
C59 C 0.8823(4) -0.0124(7) 0.3741(5) 0.034(2) Uani 1 1 d . . . . .
C60 C 0.8702(4) 0.0298(7) 0.3081(5) 0.0328(19) Uani 1 1 d . . . . .
C61 C 0.7164(3) 0.5347(7) 0.3787(4) 0.0267(17) Uani 1 1 d . . . . .
C62 C 0.6633(4) 0.4687(7) 0.4489(5) 0.0309(19) Uani 1 1 d . . . . .
C63 C 0.6635(4) 0.3648(6) 0.4224(4) 0.0261(17) Uani 1 1 d . . . . .
C64 C 0.6955(3) 0.6204(7) 0.3247(5) 0.0299(18) Uani 1 1 d . . . . .
C65 C 0.6832(4) 0.6129(7) 0.2533(5) 0.0311(19) Uani 1 1 d . . . . .
H65 H 0.6845 0.5516 0.2325 0.037 Uiso 1 1 calc R U . . .
C66 C 0.6686(4) 0.6945(7) 0.2110(6) 0.038(2) Uani 1 1 d . . . . .
H66 H 0.6606 0.6904 0.1611 0.046 Uiso 1 1 calc R U . . .
C67 C 0.6661(4) 0.7828(9) 0.2433(6) 0.044(2) Uani 1 1 d . . . . .
H67 H 0.6574 0.8408 0.2164 0.053 Uiso 1 1 calc R U . . .
C68 C 0.6762(4) 0.7837(7) 0.3141(5) 0.036(2) Uani 1 1 d . . . . .
H68 H 0.6722 0.8431 0.3358 0.043 Uiso 1 1 calc R U . . .
C69 C 0.6310(4) 0.4907(7) 0.4981(5) 0.0293(18) Uani 1 1 d . . . . .
C70 C 0.5872(5) 0.5563(8) 0.4776(5) 0.042(2) Uani 1 1 d . . . . .
H70 H 0.5776 0.5858 0.4321 0.051 Uiso 1 1 calc R U . . .
C71 C 0.5562(5) 0.5812(9) 0.5216(7) 0.051(3) Uani 1 1 d . . . . .
H71 H 0.5261 0.6278 0.5064 0.062 Uiso 1 1 calc R U . . .
C72 C 0.5689(5) 0.5384(9) 0.5872(6) 0.046(2) Uani 1 1 d . . . . .
H72 H 0.5485 0.5561 0.6181 0.055 Uiso 1 1 calc R U . . .
C73 C 0.6122(4) 0.4688(9) 0.6073(6) 0.044(2) Uani 1 1 d . . . . .
H73 H 0.6205 0.4366 0.6516 0.053 Uiso 1 1 calc R U . . .
C74 C 0.6433(4) 0.4459(8) 0.5637(5) 0.035(2) Uani 1 1 d . . . . .
H74 H 0.6734 0.3992 0.5786 0.041 Uiso 1 1 calc R U . . .
C75 C 0.6019(4) 0.3238(7) 0.4047(5) 0.0324(19) Uani 1 1 d . . . . .
C76 C 0.5871(4) 0.2641(8) 0.4522(6) 0.038(2) Uani 1 1 d . . . . .
H76 H 0.6156 0.2478 0.4964 0.046 Uiso 1 1 calc R U . . .
C77 C 0.5314(4) 0.2282(9) 0.4358(7) 0.049(3) Uani 1 1 d . . . . .
H77 H 0.5214 0.1894 0.4690 0.058 Uiso 1 1 calc R U . . .
C78 C 0.4900(5) 0.2498(9) 0.3698(8) 0.057(3) Uani 1 1 d . . . . .
H78 H 0.4519 0.2245 0.3578 0.068 Uiso 1 1 calc R U . . .
C79 C 0.5043(5) 0.3082(10) 0.3216(7) 0.053(3) Uani 1 1 d . . . . .
H79 H 0.4761 0.3222 0.2767 0.063 Uiso 1 1 calc R U . . .
C80 C 0.5592(4) 0.3454(9) 0.3392(5) 0.045(2) Uani 1 1 d . . . . .
H80 H 0.5684 0.3864 0.3065 0.053 Uiso 1 1 calc R U . . .
C81 C 0.9052(4) 0.5396(6) 0.6208(4) 0.0270(17) Uani 1 1 d . . . . .
H81A H 0.9317 0.5350 0.5938 0.041 Uiso 1 1 calc R U . . .
H81B H 0.9249 0.5711 0.6666 0.041 Uiso 1 1 calc R U . . .
H81C H 0.8711 0.5778 0.5939 0.041 Uiso 1 1 calc R U . . .
C82 C 1.0240(4) 0.2288(7) 0.6938(5) 0.033(2) Uani 1 1 d . . . . .
H82A H 1.0355 0.1682 0.6770 0.050 Uiso 1 1 calc R U . . .
H82B H 0.9936 0.2158 0.7141 0.050 Uiso 1 1 calc R U . . .
H82C H 1.0576 0.2574 0.7303 0.050 Uiso 1 1 calc R U . . .
C83 C 1.0877(4) 0.2394(8) 0.4542(7) 0.047(3) Uani 1 1 d . . . . .
H83A H 1.0760 0.2273 0.4030 0.070 Uiso 1 1 calc R U . . .
H83B H 1.0877 0.1783 0.4790 0.070 Uiso 1 1 calc R U . . .
H83C H 1.1266 0.2674 0.4711 0.070 Uiso 1 1 calc R U . . .
C84 C 0.9432(4) 0.5042(7) 0.2558(5) 0.035(2) Uani 1 1 d . . . . .
H84A H 0.9046 0.5283 0.2279 0.052 Uiso 1 1 calc R U . . .
H84B H 0.9503 0.4428 0.2358 0.052 Uiso 1 1 calc R U . . .
H84C H 0.9725 0.5515 0.2545 0.052 Uiso 1 1 calc R U . . .
C85 C 0.8378(4) 0.6714(7) 0.3391(5) 0.0318(19) Uani 1 1 d . . . . .
H85A H 0.8668 0.7187 0.3369 0.048 Uiso 1 1 calc R U . . .
H85B H 0.8083 0.7038 0.3540 0.048 Uiso 1 1 calc R U . . .
H85C H 0.8194 0.6425 0.2921 0.048 Uiso 1 1 calc R U . . .
C86 C 0.4515(12) -0.248(2) 0.3495(14) 0.080(11) Uani 0.5 1 d . . P . .
H86A H 0.4357 -0.2558 0.2972 0.095 Uiso 0.5 1 calc R U P . .
H86B H 0.4473 -0.3114 0.3707 0.095 Uiso 0.5 1 calc R U P . .
C87 C 0.7801(6) 0.7233(10) 0.6243(8) 0.065(3) Uani 1 1 d . . . . .
H87A H 0.7379 0.7267 0.6152 0.077 Uiso 1 1 calc R U . . .
H87B H 0.7863 0.6842 0.5861 0.077 Uiso 1 1 calc R U . . .
C88 C 0.6422(5) 0.8818(9) 0.4972(7) 0.052(3) Uani 1 1 d . . . . .
C89 C 0.6265(7) 0.9644(10) 0.5380(8) 0.062(3) Uani 1 1 d . . . . .
C90 C 0.5452(4) 0.0489(14) 0.3246(6) 0.041(4) Uani 0.5 1 d D . P . .
Cl5A Cl 0.4798(5) 0.0080(9) 0.3262(7) 0.054(3) Uiso 0.25 1 d D . P A 1
Cl6A Cl 0.5531(6) 0.0521(11) 0.2411(6) 0.066(3) Uiso 0.25 1 d D . P A 1
H90A H 0.5751 0.0085 0.3555 0.079 Uiso 0.5 1 d . U P B 1
H90B H 0.5513 0.1131 0.3443 0.079 Uiso 0.25 1 d . U P C 1
Cl5B Cl 0.4676(4) 0.0363(9) 0.2957(7) 0.049(2) Uiso 0.25 1 d D . P A 2
Cl6B Cl 0.5714(3) 0.0087(6) 0.2589(4) 0.0302(16) Uiso 0.25 1 d D . P A 2
H90C H 0.5625 0.0120 0.3674 0.036 Uiso 0.25 1 d . U P D 2
H90D H 0.5556 0.1155 0.3354 0.036 Uiso 0.25 1 d . U P E 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Ag Ag 0.1306 4.2820 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 '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
O6 Ag1 Ag1 110.72(15) 3_766 3_766
O6 Ag1 O7 76.16(19) 3_766 3_766
O6 Ag1 C23 58.3(2) 3_766 3_766
O6 Ag1 C25 111.1(2) 3_766 .
O7 Ag1 Ag1 128.42(13) 3_766 3_766
O7 Ag1 C25 138.5(2) 3_766 .
C23 Ag1 Ag1 73.06(18) 3_766 3_766
C23 Ag1 O7 68.5(2) 3_766 3_766
C23 Ag1 C25 151.2(3) 3_766 .
C24 Ag1 Ag1 72.5(2) . 3_766
C24 Ag1 O6 143.1(2) . 3_766
C24 Ag1 O7 132.2(2) . 3_766
C24 Ag1 C23 145.0(3) . 3_766
C24 Ag1 C25 32.6(3) . .
C25 Ag1 Ag1 88.54(18) . 3_766
N2 Ag2 N1 71.8(3) . .
O9 Ag2 N1 132.8(3) . .
O9 Ag2 N2 154.4(3) . .
C64 N1 Ag2 116.7(6) . .
C64 N1 C68 118.3(8) . .
C68 N1 Ag2 121.1(6) . .
C61 N2 Ag2 113.3(5) . .
C62 N2 Ag2 123.9(6) . .
C62 N2 C61 122.8(8) . .
C81 O3 C8 115.0(6) . .
C26 O4 C82 114.4(7) . .
C43 O5 C83 115.3(7) . .
C22 O6 Ag1 96.9(4) . 3_766
C22 O6 C84 116.5(6) . .
C84 O6 Ag1 144.1(5) . 3_766
C5 O7 Ag1 113.9(4) . 3_766
C85 O7 Ag1 127.3(5) . 3_766
C85 O7 C5 116.5(6) . .
C88 O9 Ag2 108.0(8) . .
C10 C1 C14 117.9(8) . .
C10 C1 C63 126.8(8) . .
C14 C1 C63 113.5(7) . .
C3 C2 C16 121.4(7) . .
C3 C2 C63 121.0(7) . .
C16 C2 C63 115.4(7) . .
C2 C3 C19 118.9(8) . .
C2 C3 C61 122.2(7) . .
C19 C3 C61 118.2(8) . .
O1 C4 C5 120.1(7) . .
O1 C4 C61 120.5(7) . .
C5 C4 C61 119.2(7) . .
O7 C5 C4 105.9(6) . .
O7 C5 C6 103.7(6) . .
O7 C5 C20 110.8(6) . .
C6 C5 C4 115.8(6) . .
C6 C5 C20 106.0(6) . .
C20 C5 C4 114.2(7) . .
C7 C6 C5 140.4(7) . .
C7 C6 C23 107.5(7) . .
C23 C6 C5 112.0(7) . .
C6 C7 C8 138.1(7) . .
C25 C7 C6 107.0(7) . .
C25 C7 C8 114.9(7) . .
O3 C8 C7 114.4(6) . .
O3 C8 C9 109.5(6) . .
O3 C8 C28 108.5(6) . .
C7 C8 C9 119.4(6) . .
C7 C8 C28 103.9(6) . .
C28 C8 C9 99.3(6) . .
O2 C9 C8 124.7(7) . .
O2 C9 C10 127.4(7) . .
C10 C9 C8 107.0(7) . .
C1 C10 C9 132.7(8) . .
C1 C10 C11 120.2(8) . .
C11 C10 C9 103.8(7) . .
C12 C11 C10 121.2(8) . .
C12 C11 C28 121.5(8) . .
C28 C11 C10 112.9(8) . .
C11 C12 C13 118.5(8) . .
C11 C12 C30 119.9(8) . .
C13 C12 C30 108.2(8) . .
C12 C13 C32 108.6(8) . .
C14 C13 C12 120.1(8) . .
C14 C13 C32 122.0(8) . .
C13 C14 C1 117.9(8) . .
C13 C14 C15 118.4(8) . .
C15 C14 C1 118.7(8) . .
C16 C15 C14 115.7(8) . .
C34 C15 C14 117.8(8) . .
C34 C15 C16 118.4(8) . .
C15 C16 C2 120.3(8) . .
C17 C16 C2 115.6(8) . .
C17 C16 C15 120.0(8) . .
C16 C17 C18 120.5(8) . .
C16 C17 C36 120.5(9) . .
C18 C17 C36 107.9(8) . .
C19 C18 C17 119.4(8) . .
C19 C18 C38 121.0(8) . .
C38 C18 C17 108.6(8) . .
C18 C19 C3 116.6(8) . .
C18 C19 C20 120.4(8) . .
C20 C19 C3 119.5(8) . .
C19 C20 C5 119.1(7) . .
C21 C20 C5 117.2(7) . .
C21 C20 C19 118.3(8) . .
C20 C21 C22 122.6(7) . .
C20 C21 C39 121.3(8) . .
C39 C21 C22 109.6(7) . .
O6 C22 C21 117.0(6) . .
O6 C22 C23 109.1(6) . .
O6 C22 C41 113.4(6) . .
C21 C22 C41 100.9(6) . .
C23 C22 C21 108.0(6) . .
C23 C22 C41 107.8(6) . .
C6 C23 Ag1 94.8(5) . 3_766
C6 C23 C22 124.3(7) . .
C22 C23 Ag1 94.4(5) . 3_766
C24 C23 Ag1 102.8(5) . 3_766
C24 C23 C6 108.8(7) . .
C24 C23 C22 122.2(7) . .
C23 C24 Ag1 109.9(5) . .
C23 C24 C43 123.7(7) . .
C25 C24 Ag1 81.8(5) . .
C25 C24 C23 106.9(7) . .
C25 C24 C43 124.3(7) . .
C43 C24 Ag1 99.8(5) . .
C7 C25 Ag1 114.6(5) . .
C7 C25 C26 127.4(7) . .
C24 C25 Ag1 65.6(4) . .
C24 C25 C7 109.9(7) . .
C24 C25 C26 121.4(7) . .
C26 C25 Ag1 97.4(5) . .
O4 C26 C25 109.1(7) . .
O4 C26 C27 117.2(7) . .
O4 C26 C45 114.4(7) . .
C25 C26 C27 106.5(6) . .
C25 C26 C45 108.3(7) . .
C27 C26 C45 100.7(7) . .
C28 C27 C26 120.4(7) . .
C28 C27 C29 119.7(8) . .
C29 C27 C26 110.4(7) . .
C11 C28 C8 110.1(7) . .
C27 C28 C8 124.1(7) . .
C27 C28 C11 119.8(8) . .
C27 C29 C46 109.0(8) . .
C30 C29 C27 121.6(8) . .
C30 C29 C46 118.9(9) . .
C29 C30 C12 117.4(8) . .
C29 C30 C31 121.4(8) . .
C31 C30 C12 107.8(8) . .
C30 C31 C32 108.4(8) . .
C48 C31 C30 120.8(8) . .
C48 C31 C32 118.8(9) . .
C13 C32 C31 107.0(8) . .
C33 C32 C13 120.1(9) . .
C33 C32 C31 120.0(9) . .
C32 C33 C34 118.7(9) . .
C32 C33 C50 121.4(9) . .
C34 C33 C50 108.4(8) . .
C15 C34 C33 122.9(8) . .
C15 C34 C35 121.0(9) . .
C33 C34 C35 106.9(8) . .
C34 C35 C51 109.1(8) . .
C36 C35 C34 119.9(8) . .
C36 C35 C51 119.5(8) . .
C17 C36 C37 107.8(8) . .
C35 C36 C17 120.1(8) . .
C35 C36 C37 120.7(9) . .
C38 C37 C36 106.9(8) . .
C53 C37 C36 119.2(9) . .
C53 C37 C38 121.0(9) . .
C18 C38 C37 108.8(8) . .
C39 C38 C18 117.8(8) . .
C39 C38 C37 120.4(9) . .
C21 C39 C40 109.8(8) . .
C38 C39 C21 121.0(8) . .
C38 C39 C40 119.4(9) . .
C41 C40 C39 108.9(8) . .
C54 C40 C39 120.0(8) . .
C54 C40 C41 120.7(9) . .
C40 C41 C22 109.4(7) . .
C42 C41 C22 123.8(7) . .
C42 C41 C40 120.0(8) . .
C41 C42 C43 123.4(8) . .
C41 C42 C56 120.1(8) . .
C56 C42 C43 109.2(8) . .
O5 C43 C24 108.6(6) . .
O5 C43 C42 115.8(6) . .
O5 C43 C44 113.9(6) . .
C24 C43 C42 108.6(7) . .
C24 C43 C44 108.4(6) . .
C42 C43 C44 101.2(7) . .
C45 C44 C43 123.1(7) . .
C45 C44 C57 119.3(8) . .
C57 C44 C43 110.3(7) . .
C44 C45 C26 121.8(8) . .
C44 C45 C46 119.0(8) . .
C46 C45 C26 111.0(7) . .
C45 C46 C29 108.2(8) . .
C47 C46 C29 119.9(8) . .
C47 C46 C45 121.8(8) . .
C46 C47 C48 120.4(8) . .
C46 C47 C58 119.0(8) . .
C58 C47 C48 107.6(8) . .
C31 C48 C47 118.4(9) . .
C31 C48 C49 120.7(8) . .
C49 C48 C47 108.0(8) . .
C48 C49 C59 107.8(8) . .
C50 C49 C48 120.0(8) . .
C50 C49 C59 120.0(9) . .
C49 C50 C33 118.9(9) . .
C49 C50 C51 119.3(8) . .
C51 C50 C33 108.5(8) . .
C50 C51 C35 106.8(8) . .
C52 C51 C35 121.0(9) . .
C52 C51 C50 120.4(9) . .
C51 C52 C53 119.1(9) . .
C51 C52 C60 120.4(9) . .
C60 C52 C53 107.8(8) . .
C37 C53 C52 120.5(9) . .
C37 C53 C54 118.6(9) . .
C54 C53 C52 107.7(8) . .
C40 C54 C53 120.5(9) . .
C40 C54 C55 119.5(8) . .
C55 C54 C53 108.3(8) . .
C54 C55 C60 108.1(8) . .
C56 C55 C54 119.0(9) . .
C56 C55 C60 120.6(9) . .
C42 C56 C57 109.3(8) . .
C55 C56 C42 120.7(9) . .
C55 C56 C57 119.6(8) . .
C44 C57 C56 108.6(8) . .
C58 C57 C44 121.0(8) . .
C58 C57 C56 120.2(8) . .
C47 C58 C59 109.5(7) . .
C57 C58 C47 119.9(8) . .
C57 C58 C59 119.9(8) . .
C49 C59 C58 107.1(8) . .
C60 C59 C49 119.6(9) . .
C60 C59 C58 120.4(8) . .
C52 C60 C55 108.1(8) . .
C59 C60 C52 120.3(9) . .
C59 C60 C55 119.3(8) . .
N2 C61 C3 115.0(7) . .
N2 C61 C4 107.8(7) . .
N2 C61 C64 107.3(7) . .
C3 C61 C4 109.5(7) . .
C3 C61 C64 112.6(7) . .
C64 C61 C4 104.0(7) . .
N2 C62 C63 125.9(8) . .
N2 C62 C69 114.9(8) . .
C69 C62 C63 119.0(8) . .
C2 C63 C1 100.8(6) . .
C2 C63 C62 110.1(7) . .
C2 C63 C75 111.4(7) . .
C62 C63 C1 116.2(7) . .
C62 C63 C75 107.8(7) . .
C75 C63 C1 110.5(7) . .
N1 C64 C61 113.5(8) . .
N1 C64 C65 121.7(8) . .
C65 C64 C61 124.8(8) . .
C64 C65 H65 120.0 . .
C64 C65 C66 120.0(9) . .
C66 C65 H65 120.0 . .
C65 C66 H66 120.9 . .
C65 C66 C67 118.2(10) . .
C67 C66 H66 120.9 . .
C66 C67 H67 120.9 . .
C68 C67 C66 118.3(10) . .
C68 C67 H67 120.9 . .
N1 C68 C67 123.3(10) . .
N1 C68 H68 118.4 . .
C67 C68 H68 118.4 . .
C70 C69 C62 118.7(8) . .
C70 C69 C74 118.7(8) . .
C74 C69 C62 122.6(8) . .
C69 C70 H70 119.3 . .
C69 C70 C71 121.4(10) . .
C71 C70 H70 119.3 . .
C70 C71 H71 119.9 . .
C72 C71 C70 120.2(10) . .
C72 C71 H71 119.9 . .
C71 C72 H72 120.7 . .
C71 C72 C73 118.5(10) . .
C73 C72 H72 120.7 . .
C72 C73 H73 119.6 . .
C74 C73 C72 120.7(10) . .
C74 C73 H73 119.6 . .
C69 C74 H74 119.8 . .
C73 C74 C69 120.4(9) . .
C73 C74 H74 119.8 . .
C76 C75 C63 121.6(8) . .
C76 C75 C80 118.3(9) . .
C80 C75 C63 120.0(9) . .
C75 C76 H76 119.5 . .
C77 C76 C75 121.0(10) . .
C77 C76 H76 119.5 . .
C76 C77 H77 120.3 . .
C76 C77 C78 119.4(11) . .
C78 C77 H77 120.3 . .
C77 C78 H78 119.8 . .
C79 C78 C77 120.4(10) . .
C79 C78 H78 119.8 . .
C78 C79 H79 120.1 . .
C80 C79 C78 119.8(11) . .
C80 C79 H79 120.1 . .
C75 C80 H80 119.4 . .
C79 C80 C75 121.1(10) . .
C79 C80 H80 119.4 . .
O3 C81 H81A 109.5 . .
O3 C81 H81B 109.5 . .
O3 C81 H81C 109.5 . .
H81A C81 H81B 109.5 . .
H81A C81 H81C 109.5 . .
H81B C81 H81C 109.5 . .
O4 C82 H82A 109.5 . .
O4 C82 H82B 109.5 . .
O4 C82 H82C 109.5 . .
H82A C82 H82B 109.5 . .
H82A C82 H82C 109.5 . .
H82B C82 H82C 109.5 . .
O5 C83 H83A 109.5 . .
O5 C83 H83B 109.5 . .
O5 C83 H83C 109.5 . .
H83A C83 H83B 109.5 . .
H83A C83 H83C 109.5 . .
H83B C83 H83C 109.5 . .
O6 C84 H84A 109.5 . .
O6 C84 H84B 109.5 . .
O6 C84 H84C 109.5 . .
H84A C84 H84B 109.5 . .
H84A C84 H84C 109.5 . .
H84B C84 H84C 109.5 . .
O7 C85 H85A 109.5 . .
O7 C85 H85B 109.5 . .
O7 C85 H85C 109.5 . .
H85A C85 H85B 109.5 . .
H85A C85 H85C 109.5 . .
H85B C85 H85C 109.5 . .
Cl1 C86 H86A 108.4 . .
Cl1 C86 H86B 108.4 . .
Cl2 C86 Cl1 115.5(17) . .
Cl2 C86 H86A 108.4 . .
Cl2 C86 H86B 108.4 . .
H86A C86 H86B 107.5 . .
Cl3 C87 Cl4 111.4(9) . .
Cl3 C87 H87A 109.3 . .
Cl3 C87 H87B 109.3 . .
Cl4 C87 H87A 109.3 . .
Cl4 C87 H87B 109.3 . .
H87A C87 H87B 108.0 . .
O8 C88 O9 128.5(12) . .
O8 C88 C89 118.1(11) . .
O9 C88 C89 113.4(11) . .
F1 C89 C88 111.5(12) . .
F2 C89 F1 104.2(12) . .
F2 C89 F3 110.6(12) . .
F2 C89 C88 112.8(11) . .
F3 C89 F1 104.1(12) . .
F3 C89 C88 113.0(11) . .
Cl5A C90 Cl6A 115.8(8) . .
Cl5A C90 H90A 108.3 . .
Cl5A C90 H90B 108.4 . .
Cl6A C90 H90A 108.6 . .
Cl6A C90 H90B 108.4 . .
H90A C90 H90B 107.1 . .
Cl5B C90 H90C 109.6 . .
Cl5B C90 H90D 109.7 . .
Cl6B C90 Cl5B 110.4(7) . .
Cl6B C90 H90C 109.7 . .
Cl6B C90 H90D 109.6 . .
H90C C90 H90D 107.8 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 Ag1 2.8368(12) 3_766
Ag1 O6 2.460(5) 3_766
Ag1 O7 2.501(6) 3_766
Ag1 C23 2.462(8) 3_766
Ag1 C24 2.383(8) .
Ag1 C25 2.591(8) .
Ag2 N1 2.350(8) .
Ag2 N2 2.295(7) .
Ag2 O9 2.200(8) .
N1 C64 1.336(12) .
N1 C68 1.347(12) .
N2 C61 1.463(11) .
N2 C62 1.266(12) .
O1 C4 1.207(10) .
O2 C9 1.204(10) .
O3 C8 1.420(10) .
O3 C81 1.402(10) .
O4 C26 1.430(10) .
O4 C82 1.438(10) .
O5 C43 1.430(10) .
O5 C83 1.433(11) .
O6 Ag1 2.460(5) 3_766
O6 C22 1.426(10) .
O6 C84 1.432(10) .
O7 Ag1 2.501(6) 3_766
O7 C5 1.446(9) .
O7 C85 1.434(10) .
O8 C88 1.201(15) .
O9 C88 1.253(14) .
F1 C89 1.371(18) .
F2 C89 1.306(15) .
F3 C89 1.313(15) .
Cl1 C86 1.78(3) .
Cl2 C86 1.56(4) .
Cl3 C87 1.711(15) .
Cl4 C87 1.792(15) .
C1 C10 1.376(12) .
C1 C14 1.475(13) .
C1 C63 1.543(12) .
C2 C3 1.373(12) .
C2 C16 1.455(12) .
C2 C63 1.516(11) .
C3 C19 1.450(11) .
C3 C61 1.477(12) .
C4 C5 1.556(11) .
C4 C61 1.573(11) .
C5 C6 1.539(11) .
C5 C20 1.550(11) .
C6 C7 1.433(11) .
C6 C23 1.433(11) .
C7 C8 1.534(10) .
C7 C25 1.429(11) .
C8 C9 1.576(11) .
C8 C28 1.541(12) .
C9 C10 1.534(12) .
C10 C11 1.420(12) .
C11 C12 1.380(13) .
C11 C28 1.416(12) .
C12 C13 1.422(12) .
C12 C30 1.447(12) .
C13 C14 1.413(13) .
C13 C32 1.426(13) .
C14 C15 1.461(13) .
C15 C16 1.448(13) .
C15 C34 1.409(13) .
C16 C17 1.395(13) .
C17 C18 1.439(13) .
C17 C36 1.442(13) .
C18 C19 1.400(12) .
C18 C38 1.425(13) .
C19 C20 1.431(12) .
C20 C21 1.376(12) .
C21 C22 1.536(11) .
C21 C39 1.427(12) .
C22 C23 1.516(10) .
C22 C41 1.561(11) .
C23 Ag1 2.462(8) 3_766
C23 C24 1.428(11) .
C24 C25 1.412(11) .
C24 C43 1.500(11) .
C25 C26 1.500(11) .
C26 C27 1.532(11) .
C26 C45 1.546(11) .
C27 C28 1.364(12) .
C27 C29 1.435(13) .
C29 C30 1.396(13) .
C29 C46 1.458(12) .
C30 C31 1.408(13) .
C31 C32 1.463(13) .
C31 C48 1.402(13) .
C32 C33 1.386(14) .
C33 C34 1.436(14) .
C33 C50 1.444(13) .
C34 C35 1.439(13) .
C35 C36 1.377(14) .
C35 C51 1.449(14) .
C36 C37 1.466(13) .
C37 C38 1.443(13) .
C37 C53 1.387(14) .
C38 C39 1.391(13) .
C39 C40 1.445(13) .
C40 C41 1.424(12) .
C40 C54 1.400(13) .
C41 C42 1.351(13) .
C42 C43 1.543(11) .
C42 C56 1.446(13) .
C43 C44 1.550(11) .
C44 C45 1.389(12) .
C44 C57 1.427(12) .
C45 C46 1.423(12) .
C46 C47 1.383(13) .
C47 C48 1.470(12) .
C47 C58 1.416(13) .
C48 C49 1.452(14) .
C49 C50 1.407(14) .
C49 C59 1.455(13) .
C50 C51 1.431(14) .
C51 C52 1.389(14) .
C52 C53 1.461(14) .
C52 C60 1.438(14) .
C53 C54 1.458(13) .
C54 C55 1.427(14) .
C55 C56 1.385(13) .
C55 C60 1.467(13) .
C56 C57 1.459(13) .
C57 C58 1.385(12) .
C58 C59 1.463(13) .
C59 C60 1.380(14) .
C61 C64 1.568(12) .
C62 C63 1.532(13) .
C62 C69 1.493(12) .
C63 C75 1.540(12) .
C64 C65 1.358(13) .
C65 H65 0.9500 .
C65 C66 1.384(13) .
C66 H66 0.9500 .
C66 C67 1.394(16) .
C67 H67 0.9500 .
C67 C68 1.352(15) .
C68 H68 0.9500 .
C69 C70 1.360(14) .
C69 C74 1.388(14) .
C70 H70 0.9500 .
C70 C71 1.390(15) .
C71 H71 0.9500 .
C71 C72 1.375(17) .
C72 H72 0.9500 .
C72 C73 1.390(16) .
C73 H73 0.9500 .
C73 C74 1.377(13) .
C74 H74 0.9500 .
C75 C76 1.400(14) .
C75 C80 1.404(14) .
C76 H76 0.9500 .
C76 C77 1.385(14) .
C77 H77 0.9500 .
C77 C78 1.396(18) .
C78 H78 0.9500 .
C78 C79 1.391(19) .
C79 H79 0.9500 .
C79 C80 1.373(16) .
C80 H80 0.9500 .
C81 H81A 0.9800 .
C81 H81B 0.9800 .
C81 H81C 0.9800 .
C82 H82A 0.9800 .
C82 H82B 0.9800 .
C82 H82C 0.9800 .
C83 H83A 0.9800 .
C83 H83B 0.9800 .
C83 H83C 0.9800 .
C84 H84A 0.9800 .
C84 H84B 0.9800 .
C84 H84C 0.9800 .
C85 H85A 0.9800 .
C85 H85B 0.9800 .
C85 H85C 0.9800 .
C86 H86A 0.9900 .
C86 H86B 0.9900 .
C87 H87A 0.9900 .
C87 H87B 0.9900 .
C88 C89 1.528(17) .
C90 Cl5A 1.712(9) .
C90 Cl6A 1.747(9) .
C90 H90A 0.9624 .
C90 H90B 0.9621 .
C90 Cl5B 1.800(9) .
C90 Cl6B 1.742(9) .
C90 H90C 0.9626 .
C90 H90D 0.9618 .
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_4
Ag1 O6 C22 C21 112.8(6) 3_766 .
Ag1 O6 C22 C23 -10.1(6) 3_766 .
Ag1 O6 C22 C41 -130.3(6) 3_766 .
Ag1 O7 C5 C4 132.2(5) 3_766 .
Ag1 O7 C5 C6 9.8(6) 3_766 .
Ag1 O7 C5 C20 -103.5(6) 3_766 .
Ag1 C23 C24 Ag1 12.7(5) 3_766 .
Ag1 C23 C24 C25 99.9(6) 3_766 .
Ag1 C23 C24 C43 -104.7(7) 3_766 .
Ag1 C24 C25 C7 108.7(6) . .
Ag1 C24 C25 C26 -83.6(7) . .
Ag1 C24 C43 O5 -19.7(6) . .
Ag1 C24 C43 C42 -146.3(5) . .
Ag1 C24 C43 C44 104.5(6) . .
Ag1 C25 C26 O4 24.1(6) . .
Ag1 C25 C26 C27 151.4(5) . .
Ag1 C25 C26 C45 -101.0(6) . .
Ag2 N1 C64 C61 -24.5(9) . .
Ag2 N1 C64 C65 156.6(7) . .
Ag2 N1 C68 C67 -159.0(8) . .
Ag2 N2 C61 C3 -169.1(5) . .
Ag2 N2 C61 C4 68.5(7) . .
Ag2 N2 C61 C64 -43.0(7) . .
Ag2 N2 C62 C63 176.4(6) . .
Ag2 N2 C62 C69 1.9(11) . .
Ag2 O9 C88 O8 -0.5(18) . .
Ag2 O9 C88 C89 179.8(9) . .
N1 C64 C65 C66 2.9(13) . .
N2 C61 C64 N1 44.2(9) . .
N2 C61 C64 C65 -136.9(8) . .
N2 C62 C63 C1 102.7(10) . .
N2 C62 C63 C2 -11.0(12) . .
N2 C62 C63 C75 -132.7(9) . .
N2 C62 C69 C70 54.8(12) . .
N2 C62 C69 C74 -126.0(10) . .
O1 C4 C5 O7 -46.0(9) . .
O1 C4 C5 C6 68.3(10) . .
O1 C4 C5 C20 -168.1(7) . .
O1 C4 C61 N2 -31.1(10) . .
O1 C4 C61 C3 -156.9(8) . .
O1 C4 C61 C64 82.5(9) . .
O2 C9 C10 C1 57.5(13) . .
O2 C9 C10 C11 -143.9(8) . .
O3 C8 C9 O2 32.0(10) . .
O3 C8 C9 C10 -138.1(6) . .
O3 C8 C28 C11 129.5(7) . .
O3 C8 C28 C27 -78.2(9) . .
O4 C26 C27 C28 96.5(9) . .
O4 C26 C27 C29 -117.2(8) . .
O4 C26 C45 C44 -93.5(9) . .
O4 C26 C45 C46 118.5(8) . .
O5 C43 C44 C45 96.5(9) . .
O5 C43 C44 C57 -113.8(7) . .
O6 C22 C23 Ag1 10.1(6) . 3_766
O6 C22 C23 C6 108.9(8) . .
O6 C22 C23 C24 -98.1(8) . .
O6 C22 C41 C40 -114.0(7) . .
O6 C22 C41 C42 95.1(9) . .
O7 C5 C6 C7 121.7(11) . .
O7 C5 C6 C23 -61.5(8) . .
O7 C5 C20 C19 -143.9(7) . .
O7 C5 C20 C21 62.7(10) . .
O8 C88 C89 F1 -116.2(14) . .
O8 C88 C89 F2 126.9(15) . .
O8 C88 C89 F3 0.6(19) . .
O9 C88 C89 F1 63.5(15) . .
O9 C88 C89 F2 -53.3(18) . .
O9 C88 C89 F3 -179.6(12) . .
C1 C10 C11 C12 -11.3(12) . .
C1 C10 C11 C28 145.4(8) . .
C1 C14 C15 C16 9.3(11) . .
C1 C14 C15 C34 157.5(8) . .
C1 C63 C75 C76 29.0(12) . .
C1 C63 C75 C80 -150.4(9) . .
C2 C3 C19 C18 25.4(11) . .
C2 C3 C19 C20 -133.9(9) . .
C2 C3 C61 N2 -2.3(11) . .
C2 C3 C61 C4 119.2(8) . .
C2 C3 C61 C64 -125.6(8) . .
C2 C16 C17 C18 21.7(12) . .
C2 C16 C17 C36 161.1(8) . .
C2 C63 C75 C76 140.1(9) . .
C2 C63 C75 C80 -39.2(12) . .
C3 C2 C16 C15 139.3(8) . .
C3 C2 C16 C17 -17.8(12) . .
C3 C2 C63 C1 -104.4(9) . .
C3 C2 C63 C62 18.8(11) . .
C3 C2 C63 C75 138.4(8) . .
C3 C19 C20 C5 4.4(12) . .
C3 C19 C20 C21 157.6(8) . .
C3 C61 C64 N1 171.8(7) . .
C3 C61 C64 C65 -9.4(12) . .
C4 C5 C6 C7 6.2(14) . .
C4 C5 C6 C23 -177.0(7) . .
C4 C5 C20 C19 -24.5(11) . .
C4 C5 C20 C21 -177.9(7) . .
C4 C61 C64 N1 -69.8(8) . .
C4 C61 C64 C65 109.1(9) . .
C5 C4 C61 N2 153.8(7) . .
C5 C4 C61 C3 28.0(10) . .
C5 C4 C61 C64 -92.5(8) . .
C5 C6 C7 C8 -5.2(18) . .
C5 C6 C7 C25 177.9(9) . .
C5 C6 C23 Ag1 76.1(6) . 3_766
C5 C6 C23 C22 -22.6(11) . .
C5 C6 C23 C24 -178.7(6) . .
C5 C20 C21 C22 7.0(12) . .
C5 C20 C21 C39 155.7(8) . .
C6 C5 C20 C19 104.2(8) . .
C6 C5 C20 C21 -49.2(9) . .
C6 C7 C8 O3 -103.1(11) . .
C6 C7 C8 C9 29.4(14) . .
C6 C7 C8 C28 138.8(10) . .
C6 C7 C25 Ag1 70.6(7) . .
C6 C7 C25 C24 -0.8(9) . .
C6 C7 C25 C26 -167.5(8) . .
C6 C23 C24 Ag1 -86.9(7) . .
C6 C23 C24 C25 0.3(9) . .
C6 C23 C24 C43 155.7(7) . .
C7 C6 C23 Ag1 -106.1(6) . 3_766
C7 C6 C23 C22 155.3(8) . .
C7 C6 C23 C24 -0.8(9) . .
C7 C8 C9 O2 -102.6(9) . .
C7 C8 C9 C10 87.3(8) . .
C7 C8 C28 C11 -108.4(7) . .
C7 C8 C28 C27 43.9(10) . .
C7 C25 C26 O4 -104.8(9) . .
C7 C25 C26 C27 22.5(11) . .
C7 C25 C26 C45 130.1(8) . .
C8 C7 C25 Ag1 -107.1(7) . .
C8 C7 C25 C24 -178.6(7) . .
C8 C7 C25 C26 14.8(12) . .
C8 C9 C10 C1 -132.8(9) . .
C8 C9 C10 C11 25.8(8) . .
C9 C8 C28 C11 15.1(8) . .
C9 C8 C28 C27 167.5(8) . .
C9 C10 C11 C12 -173.2(7) . .
C9 C10 C11 C28 -16.5(9) . .
C10 C1 C14 C13 20.1(11) . .
C10 C1 C14 C15 -134.5(8) . .
C10 C1 C63 C2 101.9(9) . .
C10 C1 C63 C62 -17.0(12) . .
C10 C1 C63 C75 -140.2(8) . .
C10 C11 C12 C13 16.5(12) . .
C10 C11 C12 C30 152.6(8) . .
C10 C11 C28 C8 0.4(9) . .
C10 C11 C28 C27 -153.3(8) . .
C11 C12 C13 C14 -2.9(12) . .
C11 C12 C13 C32 144.4(8) . .
C11 C12 C30 C29 -1.3(12) . .
C11 C12 C30 C31 -142.9(8) . .
C12 C11 C28 C8 157.1(7) . .
C12 C11 C28 C27 3.3(12) . .
C12 C13 C14 C1 -15.1(12) . .
C12 C13 C14 C15 139.6(8) . .
C12 C13 C32 C31 -3.1(10) . .
C12 C13 C32 C33 -144.6(8) . .
C12 C30 C31 C32 0.9(10) . .
C12 C30 C31 C48 143.0(9) . .
C13 C12 C30 C29 138.8(8) . .
C13 C12 C30 C31 -2.8(10) . .
C13 C14 C15 C16 -145.3(8) . .
C13 C14 C15 C34 2.9(12) . .
C13 C32 C33 C34 -0.5(13) . .
C13 C32 C33 C50 138.7(9) . .
C14 C1 C10 C9 148.5(9) . .
C14 C1 C10 C11 -7.3(11) . .
C14 C1 C63 C2 -62.5(8) . .
C14 C1 C63 C62 178.6(7) . .
C14 C1 C63 C75 55.3(9) . .
C14 C13 C32 C31 143.4(8) . .
C14 C13 C32 C33 2.0(13) . .
C14 C15 C16 C2 -13.6(11) . .
C14 C15 C16 C17 142.5(8) . .
C14 C15 C34 C33 -1.7(12) . .
C14 C15 C34 C35 -144.0(8) . .
C15 C16 C17 C18 -135.5(9) . .
C15 C16 C17 C36 3.9(12) . .
C15 C34 C35 C36 0.4(13) . .
C15 C34 C35 C51 143.5(8) . .
C16 C2 C3 C19 -5.6(12) . .
C16 C2 C3 C61 -175.6(7) . .
C16 C2 C63 C1 59.0(8) . .
C16 C2 C63 C62 -177.7(7) . .
C16 C2 C63 C75 -58.2(10) . .
C16 C15 C34 C33 145.7(8) . .
C16 C15 C34 C35 3.4(12) . .
C16 C17 C18 C19 -2.2(13) . .
C16 C17 C18 C38 142.3(9) . .
C16 C17 C36 C35 -0.1(13) . .
C16 C17 C36 C37 -143.8(8) . .
C17 C18 C19 C3 -21.5(12) . .
C17 C18 C19 C20 137.5(9) . .
C17 C18 C38 C37 2.5(10) . .
C17 C18 C38 C39 -139.2(9) . .
C17 C36 C37 C38 1.3(10) . .
C17 C36 C37 C53 143.1(8) . .
C18 C17 C36 C35 143.8(8) . .
C18 C17 C36 C37 0.2(10) . .
C18 C19 C20 C5 -154.0(8) . .
C18 C19 C20 C21 -0.9(12) . .
C18 C38 C39 C21 -3.5(13) . .
C18 C38 C39 C40 138.9(8) . .
C19 C3 C61 N2 -172.3(7) . .
C19 C3 C61 C4 -50.9(9) . .
C19 C3 C61 C64 64.3(9) . .
C19 C18 C38 C37 146.3(8) . .
C19 C18 C38 C39 4.7(13) . .
C19 C20 C21 C22 -146.6(8) . .
C19 C20 C21 C39 2.0(12) . .
C20 C5 C6 C7 -121.5(11) . .
C20 C5 C6 C23 55.3(8) . .
C20 C21 C22 O6 -95.8(9) . .
C20 C21 C22 C23 27.7(11) . .
C20 C21 C22 C41 140.7(8) . .
C20 C21 C39 C38 0.2(13) . .
C20 C21 C39 C40 -145.4(8) . .
C21 C22 C23 Ag1 -118.1(6) . 3_766
C21 C22 C23 C6 -19.2(11) . .
C21 C22 C23 C24 133.8(8) . .
C21 C22 C41 C40 12.0(8) . .
C21 C22 C41 C42 -139.0(8) . .
C21 C39 C40 C41 1.2(10) . .
C21 C39 C40 C54 146.3(8) . .
C22 C21 C39 C38 152.5(8) . .
C22 C21 C39 C40 6.9(9) . .
C22 C23 C24 Ag1 116.4(7) . .
C22 C23 C24 C25 -156.3(7) . .
C22 C23 C24 C43 -1.0(12) . .
C22 C41 C42 C43 0.9(12) . .
C22 C41 C42 C56 147.7(8) . .
C23 C6 C7 C8 177.9(9) . .
C23 C6 C7 C25 1.0(9) . .
C23 C22 C41 C40 125.1(7) . .
C23 C22 C41 C42 -25.9(10) . .
C23 C24 C25 Ag1 -108.4(6) . .
C23 C24 C25 C7 0.3(9) . .
C23 C24 C25 C26 167.9(7) . .
C23 C24 C43 O5 102.4(8) . .
C23 C24 C43 C42 -24.2(10) . .
C23 C24 C43 C44 -133.4(8) . .
C24 C25 C26 O4 89.9(9) . .
C24 C25 C26 C27 -142.7(8) . .
C24 C25 C26 C45 -35.2(10) . .
C24 C43 C44 C45 -24.4(10) . .
C24 C43 C44 C57 125.2(7) . .
C25 C7 C8 O3 73.7(9) . .
C25 C7 C8 C9 -153.8(7) . .
C25 C7 C8 C28 -44.5(9) . .
C25 C24 C43 O5 -106.4(8) . .
C25 C24 C43 C42 127.0(8) . .
C25 C24 C43 C44 17.8(11) . .
C25 C26 C27 C28 -25.9(10) . .
C25 C26 C27 C29 120.4(7) . .
C25 C26 C45 C44 28.4(10) . .
C25 C26 C45 C46 -119.6(7) . .
C26 C27 C28 C8 -7.8(12) . .
C26 C27 C28 C11 142.1(8) . .
C26 C27 C29 C30 -148.9(8) . .
C26 C27 C29 C46 -4.6(9) . .
C26 C45 C46 C29 5.9(10) . .
C26 C45 C46 C47 151.3(8) . .
C27 C26 C45 C44 139.9(8) . .
C27 C26 C45 C46 -8.1(9) . .
C27 C29 C30 C12 3.5(12) . .
C27 C29 C30 C31 139.6(9) . .
C27 C29 C46 C45 -0.8(10) . .
C27 C29 C46 C47 -146.9(8) . .
C28 C8 C9 O2 145.5(8) . .
C28 C8 C9 C10 -24.5(7) . .
C28 C11 C12 C13 -138.2(8) . .
C28 C11 C12 C30 -2.1(12) . .
C28 C27 C29 C30 -2.4(12) . .
C28 C27 C29 C46 141.9(8) . .
C29 C27 C28 C8 -151.0(8) . .
C29 C27 C28 C11 -1.1(11) . .
C29 C30 C31 C32 -138.9(8) . .
C29 C30 C31 C48 3.3(13) . .
C29 C46 C47 C48 2.4(13) . .
C29 C46 C47 C58 139.0(8) . .
C30 C12 C13 C14 -143.7(8) . .
C30 C12 C13 C32 3.6(10) . .
C30 C29 C46 C45 144.6(8) . .
C30 C29 C46 C47 -1.5(12) . .
C30 C31 C32 C13 1.4(10) . .
C30 C31 C32 C33 142.9(9) . .
C30 C31 C48 C47 -2.4(13) . .
C30 C31 C48 C49 -139.1(9) . .
C31 C32 C33 C34 -137.0(9) . .
C31 C32 C33 C50 2.1(14) . .
C31 C48 C49 C50 -0.4(13) . .
C31 C48 C49 C59 142.0(9) . .
C32 C13 C14 C1 -157.9(8) . .
C32 C13 C14 C15 -3.2(12) . .
C32 C31 C48 C47 136.0(9) . .
C32 C31 C48 C49 -0.7(13) . .
C32 C33 C34 C15 0.4(13) . .
C32 C33 C34 C35 147.2(8) . .
C32 C33 C50 C49 -3.2(14) . .
C32 C33 C50 C51 -144.1(9) . .
C33 C34 C35 C36 -147.2(8) . .
C33 C34 C35 C51 -4.0(10) . .
C33 C50 C51 C35 -1.2(10) . .
C33 C50 C51 C52 142.0(9) . .
C34 C15 C16 C2 -161.6(8) . .
C34 C15 C16 C17 -5.5(12) . .
C34 C33 C50 C49 139.6(9) . .
C34 C33 C50 C51 -1.2(10) . .
C34 C35 C36 C17 -2.1(13) . .
C34 C35 C36 C37 136.9(9) . .
C34 C35 C51 C50 3.3(10) . .
C34 C35 C51 C52 -139.7(9) . .
C35 C36 C37 C38 -142.1(8) . .
C35 C36 C37 C53 -0.3(13) . .
C35 C51 C52 C53 -2.0(13) . .
C35 C51 C52 C60 134.9(9) . .
C36 C17 C18 C19 -146.1(8) . .
C36 C17 C18 C38 -1.6(10) . .
C36 C35 C51 C50 146.6(8) . .
C36 C35 C51 C52 3.6(13) . .
C36 C37 C38 C18 -2.4(10) . .
C36 C37 C38 C39 138.1(8) . .
C36 C37 C53 C52 1.9(13) . .
C36 C37 C53 C54 -134.4(9) . .
C37 C38 C39 C21 -140.6(9) . .
C37 C38 C39 C40 1.8(12) . .
C37 C53 C54 C40 -0.1(13) . .
C37 C53 C54 C55 142.8(8) . .
C38 C18 C19 C3 -161.6(8) . .
C38 C18 C19 C20 -2.5(13) . .
C38 C37 C53 C52 138.2(9) . .
C38 C37 C53 C54 1.9(13) . .
C38 C39 C40 C41 -145.0(8) . .
C38 C39 C40 C54 0.1(12) . .
C39 C21 C22 O6 112.3(8) . .
C39 C21 C22 C23 -124.1(7) . .
C39 C21 C22 C41 -11.2(8) . .
C39 C40 C41 C22 -8.7(9) . .
C39 C40 C41 C42 143.5(8) . .
C39 C40 C54 C53 -0.9(12) . .
C39 C40 C54 C55 -139.8(8) . .
C40 C41 C42 C43 -147.1(8) . .
C40 C41 C42 C56 -0.3(12) . .
C40 C54 C55 C56 0.5(12) . .
C40 C54 C55 C60 143.0(8) . .
C41 C22 C23 Ag1 133.6(5) . 3_766
C41 C22 C23 C6 -127.5(8) . .
C41 C22 C23 C24 25.5(10) . .
C41 C40 C54 C53 140.1(9) . .
C41 C40 C54 C55 1.2(12) . .
C41 C42 C43 O5 -98.1(9) . .
C41 C42 C43 C24 24.2(11) . .
C41 C42 C43 C44 138.2(8) . .
C41 C42 C56 C55 2.1(12) . .
C41 C42 C56 C57 -142.6(8) . .
C42 C43 C44 C45 -138.5(8) . .
C42 C43 C44 C57 11.1(8) . .
C42 C56 C57 C44 -1.1(9) . .
C42 C56 C57 C58 144.5(8) . .
C43 C24 C25 Ag1 96.4(8) . .
C43 C24 C25 C7 -154.9(8) . .
C43 C24 C25 C26 12.7(12) . .
C43 C42 C56 C55 153.1(8) . .
C43 C42 C56 C57 8.5(9) . .
C43 C44 C45 C26 1.1(12) . .
C43 C44 C45 C46 146.6(8) . .
C43 C44 C57 C56 -6.7(9) . .
C43 C44 C57 C58 -152.0(8) . .
C44 C45 C46 C29 -143.1(8) . .
C44 C45 C46 C47 2.2(12) . .
C44 C57 C58 C47 0.9(12) . .
C44 C57 C58 C59 141.5(9) . .
C45 C26 C27 C28 -138.7(8) . .
C45 C26 C27 C29 7.5(8) . .
C45 C44 C57 C56 144.2(8) . .
C45 C44 C57 C58 -1.1(12) . .
C45 C46 C47 C48 -139.1(9) . .
C45 C46 C47 C58 -2.5(13) . .
C46 C29 C30 C12 -137.4(9) . .
C46 C29 C30 C31 -1.3(12) . .
C46 C47 C48 C31 -0.5(13) . .
C46 C47 C48 C49 141.2(9) . .
C46 C47 C58 C57 0.9(12) . .
C46 C47 C58 C59 -143.4(8) . .
C47 C48 C49 C50 -141.0(8) . .
C47 C48 C49 C59 1.4(10) . .
C47 C58 C59 C49 2.7(10) . .
C47 C58 C59 C60 143.9(9) . .
C48 C31 C32 C13 -141.7(8) . .
C48 C31 C32 C33 -0.1(13) . .
C48 C47 C58 C57 142.4(8) . .
C48 C47 C58 C59 -1.8(10) . .
C48 C49 C50 C33 2.3(13) . .
C48 C49 C50 C51 138.9(9) . .
C48 C49 C59 C58 -2.4(10) . .
C48 C49 C59 C60 -144.1(9) . .
C49 C50 C51 C35 -141.9(8) . .
C49 C50 C51 C52 1.3(13) . .
C49 C59 C60 C52 -0.1(13) . .
C49 C59 C60 C55 137.5(9) . .
C50 C33 C34 C15 -143.5(8) . .
C50 C33 C34 C35 3.2(10) . .
C50 C49 C59 C58 139.9(9) . .
C50 C49 C59 C60 -1.7(13) . .
C50 C51 C52 C53 -140.1(9) . .
C50 C51 C52 C60 -3.2(14) . .
C51 C35 C36 C17 -141.4(9) . .
C51 C35 C36 C37 -2.4(12) . .
C51 C52 C53 C37 -0.8(13) . .
C51 C52 C53 C54 139.7(9) . .
C51 C52 C60 C55 -139.3(9) . .
C51 C52 C60 C59 2.6(14) . .
C52 C53 C54 C40 -141.4(9) . .
C52 C53 C54 C55 1.5(10) . .
C53 C37 C38 C18 -143.3(8) . .
C53 C37 C38 C39 -2.8(13) . .
C53 C52 C60 C55 1.9(10) . .
C53 C52 C60 C59 143.7(9) . .
C53 C54 C55 C56 -142.8(8) . .
C53 C54 C55 C60 -0.3(9) . .
C54 C40 C41 C22 -153.5(8) . .
C54 C40 C41 C42 -1.3(12) . .
C54 C55 C56 C42 -2.2(12) . .
C54 C55 C56 C57 138.9(9) . .
C54 C55 C60 C52 -1.0(10) . .
C54 C55 C60 C59 -143.2(9) . .
C55 C56 C57 C44 -146.2(8) . .
C55 C56 C57 C58 -0.6(12) . .
C56 C42 C43 O5 112.1(8) . .
C56 C42 C43 C24 -125.6(7) . .
C56 C42 C43 C44 -11.6(8) . .
C56 C55 C60 C52 140.8(9) . .
C56 C55 C60 C59 -1.5(13) . .
C56 C57 C58 C47 -140.5(8) . .
C56 C57 C58 C59 0.1(12) . .
C57 C44 C45 C26 -146.0(8) . .
C57 C44 C45 C46 -0.4(12) . .
C57 C58 C59 C49 -141.6(8) . .
C57 C58 C59 C60 -0.4(13) . .
C58 C47 C48 C31 -141.4(9) . .
C58 C47 C48 C49 0.3(10) . .
C58 C59 C60 C52 -136.6(9) . .
C58 C59 C60 C55 1.0(13) . .
C59 C49 C50 C33 -135.6(9) . .
C59 C49 C50 C51 1.1(13) . .
C60 C52 C53 C37 -142.5(8) . .
C60 C52 C53 C54 -2.1(10) . .
C60 C55 C56 C42 -139.9(9) . .
C60 C55 C56 C57 1.2(13) . .
C61 N2 C62 C63 -3.6(13) . .
C61 N2 C62 C69 -178.1(7) . .
C61 C3 C19 C18 -164.2(7) . .
C61 C3 C19 C20 36.6(11) . .
C61 C4 C5 O7 129.1(7) . .
C61 C4 C5 C6 -116.6(8) . .
C61 C4 C5 C20 7.0(10) . .
C61 C64 C65 C66 -175.9(8) . .
C62 N2 C61 C3 10.9(11) . .
C62 N2 C61 C4 -111.5(9) . .
C62 N2 C61 C64 137.0(8) . .
C62 C63 C75 C76 -99.0(10) . .
C62 C63 C75 C80 81.7(11) . .
C62 C69 C70 C71 -178.8(10) . .
C62 C69 C74 C73 180.0(9) . .
C63 C1 C10 C9 -15.4(14) . .
C63 C1 C10 C11 -171.2(7) . .
C63 C1 C14 C13 -173.9(7) . .
C63 C1 C14 C15 31.4(10) . .
C63 C2 C3 C19 156.8(8) . .
C63 C2 C3 C61 -13.2(12) . .
C63 C2 C16 C15 -24.1(11) . .
C63 C2 C16 C17 178.8(7) . .
C63 C62 C69 C70 -120.0(10) . .
C63 C62 C69 C74 59.1(12) . .
C63 C75 C76 C77 179.6(9) . .
C63 C75 C80 C79 178.7(10) . .
C64 N1 C68 C67 -2.2(14) . .
C64 C65 C66 C67 -1.2(14) . .
C65 C66 C67 C68 -1.9(14) . .
C66 C67 C68 N1 3.7(15) . .
C68 N1 C64 C61 177.7(7) . .
C68 N1 C64 C65 -1.2(13) . .
C69 C62 C63 C1 -83.0(9) . .
C69 C62 C63 C2 163.3(7) . .
C69 C62 C63 C75 41.5(10) . .
C69 C70 C71 C72 -0.8(19) . .
C70 C69 C74 C73 -0.9(15) . .
C70 C71 C72 C73 -1.5(19) . .
C71 C72 C73 C74 2.6(18) . .
C72 C73 C74 C69 -1.4(16) . .
C74 C69 C70 C71 2.0(17) . .
C75 C76 C77 C78 2.0(17) . .
C76 C75 C80 C79 -0.7(16) . .
C76 C77 C78 C79 -1.2(18) . .
C77 C78 C79 C80 -0.5(19) . .
C78 C79 C80 C75 1.5(19) . .
C80 C75 C76 C77 -1.1(15) . .
C81 O3 C8 C7 47.5(9) . .
C81 O3 C8 C9 -89.6(8) . .
C81 O3 C8 C28 162.9(6) . .
C82 O4 C26 C25 175.2(7) . .
C82 O4 C26 C27 54.1(10) . .
C82 O4 C26 C45 -63.4(9) . .
C83 O5 C43 C24 178.1(8) . .
C83 O5 C43 C42 -59.6(10) . .
C83 O5 C43 C44 57.2(10) . .
C84 O6 C22 C21 -53.6(9) . .
C84 O6 C22 C23 -176.6(7) . .
C84 O6 C22 C41 63.3(9) . .
C85 O7 C5 C4 -63.8(8) . .
C85 O7 C5 C6 173.9(6) . .
C85 O7 C5 C20 60.5(9) . .
