#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/14/4301400.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_4301400
loop_
_publ_author_name
'Christopher J. Chancellor'
'Marilyn M. Olmstead'
'Alan L. Balch'
_publ_section_title
;
Formation of Crystalline Polymers from the Reaction of Amine-Functionalized
C60 with Silver Salts
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1339
_journal_page_last               1345
_journal_paper_doi               10.1021/ic8012427
_journal_volume                  48
_journal_year                    2009
_chemical_formula_moiety         'C128 H16 Ag N5 O3, 0.5(C H4 O), C H2 Cl2'
_chemical_formula_sum            'C129.5 H20 Ag Cl2 N5 O3.5'
_chemical_formula_weight         1880.28
_chemical_name_common            (AgNO₃)(C60pip)₂.CH₂Cl₂.0.5CH₃OH
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 103.923(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.0274(10)
_cell_length_b                   36.014(4)
_cell_length_c                   18.9837(18)
_cell_measurement_reflns_used    1018
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      20.0
_cell_measurement_theta_min      3.5
_cell_volume                     6654.1(12)
_computing_cell_refinement       'SAINT (Bruker, 2003)'
_computing_data_collection       'SMART (Bruker, 2003)'
_computing_data_reduction        'SAINT (Bruker, 2003)'
_computing_molecular_graphics    'SHELXTL 5.1, XP (Sheldrick, 1994)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker SMART Apex I'
_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  0.178
_diffrn_reflns_av_sigmaI/netI    0.1300
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       42
_diffrn_reflns_limit_k_min       -42
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            59807
_diffrn_reflns_theta_full        24.93
_diffrn_reflns_theta_max         24.93
_diffrn_reflns_theta_min         2.02
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.471
_exptl_absorpt_correction_T_max  0.992
_exptl_absorpt_correction_T_min  0.864
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS 2008/1 (Sheldrick, 2008)'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.877
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             3764
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.02
_refine_diff_density_max         0.514
_refine_diff_density_min         -0.965
_refine_diff_density_rms         0.110
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.016
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1274
_refine_ls_number_reflns         11611
_refine_ls_number_restraints     722
_refine_ls_restrained_S_all      1.012
_refine_ls_R_factor_all          0.1337
_refine_ls_R_factor_gt           0.0604
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0672P)²+4.9978P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1270
_refine_ls_wR_factor_ref         0.1572
_reflns_number_gt                6597
_reflns_number_total             11599
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            ic8012427_si_001_2.cif
_cod_data_source_block           mn1535
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C129.50 H20 Ag Cl2 N5 O3.50'
_cod_database_code               4301400
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.65722(5) 0.241592(14) 0.49915(3) 0.02151(14) Uani 1 1 d . . .
N1 N 0.5241(6) 0.24287(19) 0.6231(3) 0.0310(14) Uani 1 1 d . . .
N2 N 0.2774(5) 0.18908(14) 0.3228(3) 0.0191(12) Uani 1 1 d . . .
N3 N 0.4858(5) 0.21819(14) 0.4115(3) 0.0179(12) Uani 1 1 d . . .
N4 N 0.8647(5) 0.26485(14) 0.5540(3) 0.0179(12) Uani 1 1 d . . .
N5 N 1.0970(5) 0.29275(14) 0.6198(3) 0.0213(12) Uani 1 1 d . . .
O1 O 0.5866(5) 0.21468(14) 0.6056(2) 0.0314(12) Uani 1 1 d . . .
O2 O 0.4737(5) 0.24130(17) 0.6751(3) 0.0531(15) Uani 1 1 d . . .
O3 O 0.5157(5) 0.27154(15) 0.5841(3) 0.0389(13) Uani 1 1 d . . .
C1 C 0.3936(6) 0.16276(17) 0.3330(3) 0.0178(14) Uani 1 1 d U . .
C2 C 0.5265(6) 0.18070(17) 0.3877(3) 0.0170(14) Uani 1 1 d U . .
C3 C 0.5891(6) 0.15733(16) 0.4532(3) 0.0141(13) Uani 1 1 d U . .
C4 C 0.5276(6) 0.12665(18) 0.4738(3) 0.0199(14) Uani 1 1 d U . .
C5 C 0.4067(6) 0.10984(18) 0.4246(3) 0.0185(14) Uani 1 1 d U . .
C6 C 0.3544(6) 0.12480(17) 0.3574(3) 0.0162(14) Uani 1 1 d U . .
C7 C 0.3138(6) 0.10073(17) 0.2954(3) 0.0167(14) Uani 1 1 d U . .
C8 C 0.3522(6) 0.11789(17) 0.2342(3) 0.0180(14) Uani 1 1 d U . .
C9 C 0.4169(6) 0.15314(16) 0.2580(3) 0.0165(14) Uani 1 1 d U . .
C10 C 0.5259(6) 0.16410(17) 0.2327(3) 0.0187(14) Uani 1 1 d U . .
C11 C 0.6467(6) 0.18083(16) 0.2827(3) 0.0161(14) Uani 1 1 d U . .
C12 C 0.6509(6) 0.18547(16) 0.3542(3) 0.0153(14) Uani 1 1 d U . .
C13 C 0.7740(6) 0.17643(17) 0.4081(3) 0.0155(13) Uani 1 1 d U . .
C14 C 0.7369(6) 0.15901(16) 0.4698(3) 0.0144(13) Uani 1 1 d U . .
C15 C 0.8169(6) 0.13058(17) 0.5070(3) 0.0157(14) Uani 1 1 d U . .
C16 C 0.7531(6) 0.09850(17) 0.5293(3) 0.0192(14) Uani 1 1 d U . .
C17 C 0.6095(6) 0.09618(18) 0.5120(3) 0.0185(14) Uani 1 1 d U . .
C18 C 0.5420(6) 0.06164(17) 0.4871(3) 0.0180(14) Uani 1 1 d U . .
C19 C 0.4177(6) 0.07014(18) 0.4333(3) 0.0187(14) Uani 1 1 d U . .
C20 C 0.3732(6) 0.04623(18) 0.3739(3) 0.0202(14) Uani 1 1 d U . .
C21 C 0.3206(6) 0.06219(18) 0.3035(3) 0.0186(14) Uani 1 1 d U . .
C22 C 0.3692(6) 0.03947(18) 0.2517(3) 0.0194(15) Uani 1 1 d U . .
C23 C 0.4063(6) 0.05612(17) 0.1929(3) 0.0191(14) Uani 1 1 d U . .
C24 C 0.3966(6) 0.09607(18) 0.1846(3) 0.0197(14) Uani 1 1 d U . .
C25 C 0.5107(6) 0.10838(17) 0.1565(3) 0.0188(14) Uani 1 1 d U . .
C26 C 0.5747(6) 0.14173(17) 0.1814(3) 0.0175(14) Uani 1 1 d U . .
C27 C 0.7235(7) 0.14407(18) 0.1983(3) 0.0224(15) Uani 1 1 d U . .
C28 C 0.7684(6) 0.16856(17) 0.2607(3) 0.0192(14) Uani 1 1 d U . .
C29 C 0.8891(6) 0.16090(17) 0.3119(3) 0.0183(14) Uani 1 1 d U . .
C30 C 0.8926(6) 0.16490(17) 0.3879(3) 0.0175(14) Uani 1 1 d U . .
C31 C 0.9758(6) 0.13448(17) 0.4266(3) 0.0186(14) Uani 1 1 d U . .
C32 C 0.9391(6) 0.11842(18) 0.4851(3) 0.0209(15) Uani 1 1 d U . .
C33 C 0.9494(6) 0.07841(18) 0.4946(3) 0.0208(15) Uani 1 1 d U . .
C34 C 0.8323(6) 0.06601(18) 0.5217(3) 0.0213(15) Uani 1 1 d U . .
C35 C 0.7675(6) 0.03264(17) 0.4977(3) 0.0198(14) Uani 1 1 d U . .
C36 C 0.6185(6) 0.03041(17) 0.4806(3) 0.0192(14) Uani 1 1 d U . .
C37 C 0.5753(6) 0.00622(16) 0.4178(3) 0.0181(14) Uani 1 1 d U . .
C38 C 0.4561(6) 0.01397(17) 0.3662(3) 0.0204(15) Uani 1 1 d U . .
C39 C 0.4534(6) 0.00979(17) 0.2898(3) 0.0191(14) Uani 1 1 d U . .
C40 C 0.5686(6) -0.00192(17) 0.2690(3) 0.0190(14) Uani 1 1 d U . .
C41 C 0.6066(6) 0.01526(17) 0.2084(3) 0.0173(14) Uani 1 1 d U . .
C42 C 0.5269(6) 0.04376(17) 0.1702(3) 0.0194(14) Uani 1 1 d U . .
C43 C 0.5914(6) 0.07626(18) 0.1486(3) 0.0200(15) Uani 1 1 d U . .
C44 C 0.7350(6) 0.07868(17) 0.1644(3) 0.0181(14) Uani 1 1 d U . .
C45 C 0.8017(6) 0.11375(17) 0.1895(3) 0.0168(14) Uani 1 1 d U . .
C46 C 0.9261(6) 0.10517(18) 0.2437(3) 0.0195(14) Uani 1 1 d U . .
C47 C 0.9705(6) 0.12853(18) 0.3035(3) 0.0201(15) Uani 1 1 d U . .
C48 C 1.0236(6) 0.11211(18) 0.3742(3) 0.0205(15) Uani 1 1 d U . .
C49 C 1.0335(6) 0.07377(18) 0.3831(3) 0.0196(14) Uani 1 1 d U . .
C50 C 0.9944(6) 0.05674(17) 0.4439(3) 0.0182(14) Uani 1 1 d U . .
C51 C 0.9253(6) 0.02181(17) 0.4187(3) 0.0193(14) Uani 1 1 d U . .
C52 C 0.8159(6) 0.01015(17) 0.4455(3) 0.0205(15) Uani 1 1 d U . .
C53 C 0.6971(6) -0.00613(17) 0.3969(3) 0.0179(14) Uani 1 1 d U . .
C54 C 0.6921(6) -0.00997(17) 0.3231(3) 0.0208(15) Uani 1 1 d U . .
C55 C 0.8096(6) 0.00244(17) 0.2960(3) 0.0192(14) Uani 1 1 d U . .
C56 C 0.7549(6) 0.01793(17) 0.2251(3) 0.0206(15) Uani 1 1 d U . .
C57 C 0.8175(6) 0.04915(17) 0.2041(3) 0.0185(14) Uani 1 1 d U . .
C58 C 0.9361(6) 0.06569(18) 0.2517(3) 0.0205(15) Uani 1 1 d U . .
C59 C 0.9895(6) 0.05022(17) 0.3206(3) 0.0188(14) Uani 1 1 d U . .
C60 C 0.9214(6) 0.01786(17) 0.3426(3) 0.0182(14) Uani 1 1 d U . .
C121 C 0.3138(6) 0.22450(18) 0.2933(3) 0.0228(15) Uani 1 1 d . . .
H12A H 0.2347 0.2417 0.2858 0.027 Uiso 1 1 calc R . .
H12B H 0.3350 0.2201 0.2457 0.027 Uiso 1 1 calc R . .
C122 C 0.4406(6) 0.24240(17) 0.3462(3) 0.0190(14) Uani 1 1 d . . .
H12C H 0.5165 0.2453 0.3216 0.023 Uiso 1 1 calc R . .
H12D H 0.4160 0.2673 0.3612 0.023 Uiso 1 1 calc R . .
C123 C 0.3697(6) 0.21348(18) 0.4463(3) 0.0203(15) Uani 1 1 d . . .
H12E H 0.3449 0.2379 0.4636 0.024 Uiso 1 1 calc R . .
H12F H 0.3978 0.1969 0.4889 0.024 Uiso 1 1 calc R . .
C124 C 0.2445(6) 0.19691(18) 0.3926(3) 0.0217(15) Uani 1 1 d . . .
H12G H 0.2164 0.1737 0.4129 0.026 Uiso 1 1 calc R . .
H12H H 0.1668 0.2146 0.3852 0.026 Uiso 1 1 calc R . .
C61 C 0.8993(6) 0.29646(16) 0.5092(3) 0.0156(13) Uani 1 1 d U . .
C62 C 1.0467(6) 0.31305(17) 0.5510(3) 0.0166(14) Uani 1 1 d U . .
C63 C 1.1536(6) 0.31211(17) 0.5051(3) 0.0181(14) Uani 1 1 d U . .
C64 C 1.1390(6) 0.29327(17) 0.4416(3) 0.0191(14) Uani 1 1 d U . .
C65 C 1.0034(7) 0.27780(18) 0.4027(3) 0.0229(15) Uani 1 1 d U . .
C66 C 0.8918(6) 0.28263(17) 0.4323(3) 0.0182(14) Uani 1 1 d U . .
C67 C 0.7608(6) 0.29263(17) 0.3854(3) 0.0194(14) Uani 1 1 d U . .
C68 C 0.6943(6) 0.31845(18) 0.4246(3) 0.0190(14) Uani 1 1 d U . .
C69 C 0.7822(6) 0.32518(17) 0.4942(3) 0.0175(14) Uani 1 1 d U . .
C70 C 0.7928(6) 0.35984(18) 0.5226(3) 0.0193(14) Uani 1 1 d U . .
C71 C 0.9288(6) 0.37526(17) 0.5597(3) 0.0181(14) Uani 1 1 d U . .
C72 C 1.0435(6) 0.35467(17) 0.5661(3) 0.0181(14) Uani 1 1 d U . .
C73 C 1.1648(6) 0.37182(18) 0.5535(3) 0.0218(15) Uani 1 1 d U . .
C74 C 1.2321(6) 0.34547(18) 0.5156(3) 0.0201(15) Uani 1 1 d U . .
C75 C 1.2992(6) 0.35819(19) 0.4632(4) 0.0246(16) Uani 1 1 d U . .
C76 C 1.2842(6) 0.33808(19) 0.3972(4) 0.0248(16) Uani 1 1 d U . .
C77 C 1.2032(6) 0.30647(18) 0.3854(3) 0.0202(15) Uani 1 1 d U . .
C78 C 1.1116(7) 0.29967(18) 0.3146(4) 0.0249(16) Uani 1 1 d U . .
C79 C 0.9891(7) 0.28202(17) 0.3267(3) 0.0224(15) Uani 1 1 d U . .
C80 C 0.8613(7) 0.29030(18) 0.2809(3) 0.0222(15) Uani 1 1 d U . .
C81 C 0.7450(6) 0.29614(17) 0.3110(3) 0.0216(15) Uani 1 1 d U . .
C82 C 0.6628(6) 0.32626(18) 0.2723(3) 0.0222(15) Uani 1 1 d U . .
C83 C 0.5983(6) 0.35109(18) 0.3082(3) 0.0214(15) Uani 1 1 d U . .
C84 C 0.6139(6) 0.34701(18) 0.3867(3) 0.0211(15) Uani 1 1 d U . .
C85 C 0.6226(6) 0.38351(18) 0.4169(3) 0.0205(15) Uani 1 1 d U . .
C86 C 0.7136(6) 0.39030(18) 0.4841(3) 0.0205(15) Uani 1 1 d U . .
C87 C 0.7944(7) 0.42353(19) 0.4964(3) 0.0225(15) Uani 1 1 d U . .
C88 C 0.9286(7) 0.41464(18) 0.5434(3) 0.0212(15) Uani 1 1 d U . .
C89 C 1.0458(7) 0.43151(18) 0.5331(3) 0.0211(15) Uani 1 1 d U . .
C90 C 1.1674(7) 0.40934(19) 0.5379(3) 0.0262(16) Uani 1 1 d U . .
C91 C 1.2352(7) 0.42295(19) 0.4840(3) 0.0249(16) Uani 1 1 d U . .
C92 C 1.3011(6) 0.39789(19) 0.4475(3) 0.0250(16) Uani 1 1 d U . .
C93 C 1.2851(6) 0.40166(19) 0.3693(3) 0.0245(16) Uani 1 1 d U . .
C94 C 1.2751(6) 0.36514(18) 0.3388(4) 0.0233(15) Uani 1 1 d U . .
C95 C 1.1875(7) 0.35787(19) 0.2713(3) 0.0252(16) Uani 1 1 d U . .
C96 C 1.1055(7) 0.32450(19) 0.2593(3) 0.0252(16) Uani 1 1 d U . .
C97 C 0.9720(7) 0.33372(18) 0.2117(3) 0.0233(15) Uani 1 1 d U . .
C98 C 0.8545(7) 0.31688(18) 0.2223(3) 0.0232(15) Uani 1 1 d U . .
C99 C 0.7297(7) 0.33918(19) 0.2170(3) 0.0235(15) Uani 1 1 d U . .
C100 C 0.7328(6) 0.37672(19) 0.2015(3) 0.0238(16) Uani 1 1 d U . .
C101 C 0.6654(6) 0.40283(19) 0.2395(3) 0.0229(15) Uani 1 1 d U . .
C102 C 0.5990(6) 0.39033(18) 0.2920(3) 0.0223(15) Uani 1 1 d U . .
C103 C 0.6145(6) 0.41054(19) 0.3580(4) 0.0252(16) Uani 1 1 d U . .
C104 C 0.6938(6) 0.44278(18) 0.3708(3) 0.0228(15) Uani 1 1 d U . .
C105 C 0.7851(7) 0.44938(19) 0.4418(4) 0.0280(16) Uani 1 1 d U . .
C106 C 0.9090(7) 0.46667(18) 0.4301(4) 0.0263(16) Uani 1 1 d U . .
C107 C 1.0354(7) 0.45813(18) 0.4748(4) 0.0258(16) Uani 1 1 d U . .
C108 C 1.1525(7) 0.45289(18) 0.4446(4) 0.0259(16) Uani 1 1 d U . .
C109 C 1.1391(7) 0.45623(19) 0.3705(4) 0.0278(16) Uani 1 1 d U . .
C110 C 1.2056(7) 0.43036(19) 0.3315(4) 0.0261(16) Uani 1 1 d U . .
C111 C 1.1163(7) 0.42315(19) 0.2619(4) 0.0262(16) Uani 1 1 d U . .
C112 C 1.1074(7) 0.38779(19) 0.2321(3) 0.0242(15) Uani 1 1 d U . .
C113 C 0.9729(7) 0.37259(18) 0.1955(3) 0.0227(15) Uani 1 1 d U . .
C114 C 0.8560(7) 0.39351(18) 0.1904(3) 0.0228(15) Uani 1 1 d U . .
C115 C 0.8648(7) 0.43063(19) 0.2213(3) 0.0264(16) Uani 1 1 d U . .
C116 C 0.7469(7) 0.43660(19) 0.2516(4) 0.0258(16) Uani 1 1 d U . .
C117 C 0.7613(7) 0.45542(19) 0.3166(4) 0.0256(16) Uani 1 1 d U . .
C118 C 0.8944(7) 0.47049(17) 0.3527(3) 0.0221(15) Uani 1 1 d U . .
C119 C 1.0063(7) 0.46546(18) 0.3237(4) 0.0253(16) Uani 1 1 d U . .
C120 C 0.9926(7) 0.44492(18) 0.2572(3) 0.0234(15) Uani 1 1 d U . .
C125 C 0.8573(6) 0.27865(18) 0.6270(3) 0.0196(14) Uani 1 1 d . . .
H12I H 0.8355 0.2579 0.6565 0.024 Uiso 1 1 calc R . .
H12J H 0.7839 0.2975 0.6219 0.024 Uiso 1 1 calc R . .
C126 C 0.9976(6) 0.29592(19) 0.6649(3) 0.0220(15) Uani 1 1 d . . .
H12K H 0.9845 0.3224 0.6752 0.026 Uiso 1 1 calc R . .
H12L H 1.0343 0.2832 0.7118 0.026 Uiso 1 1 calc R . .
C127 C 1.1148(6) 0.25355(18) 0.6059(3) 0.0240(16) Uani 1 1 d . . .
H12M H 1.1485 0.2403 0.6525 0.029 Uiso 1 1 calc R . .
H12N H 1.1841 0.2507 0.5769 0.029 Uiso 1 1 calc R . .
C128 C 0.9749(6) 0.23616(18) 0.5637(3) 0.0241(15) Uani 1 1 d . . .
H12O H 0.9832 0.2271 0.5157 0.029 Uiso 1 1 calc R . .
H12P H 0.9513 0.2148 0.5912 0.029 Uiso 1 1 calc R . .
Cl1 Cl 0.6535(2) -0.09792(5) 0.38754(11) 0.0417(5) Uani 1 1 d . . .
Cl2 Cl 0.78245(19) -0.16976(5) 0.42051(10) 0.0386(5) Uani 1 1 d . . .
C129 C 0.6369(7) -0.14603(19) 0.3733(4) 0.0289(17) Uani 1 1 d . . .
H12Q H 0.5557 -0.1550 0.3893 0.035 Uiso 1 1 calc R . .
H12R H 0.6218 -0.1513 0.3208 0.035 Uiso 1 1 calc R . .
O4 O 0.448(4) 0.5075(7) 0.5030(14) 0.062(8) Uiso 0.25 1 d PD . 1
C130 C 0.495(5) 0.4755(9) 0.472(2) 0.035(9) Uiso 0.25 1 d PD . 1
O5 O 0.483(6) 0.4675(10) 0.458(3) 0.14(2) Uiso 0.25 1 d PD A 2
C131 C 0.5000 0.5000 0.5000 0.081(14) Uiso 0.50 2 d SPD . 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
Cl Cl 0.1484 0.1585 '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
N3 Ag1 N4 159.72(17) . . ?
N3 Ag1 O1 97.95(17) . . ?
N4 Ag1 O1 100.44(16) . . ?
O2 N1 O3 122.3(7) . . ?
O2 N1 O1 120.1(7) . . ?
O3 N1 O1 117.7(5) . . ?
C124 N2 C121 107.8(5) . . ?
C124 N2 C1 110.2(5) . . ?
C121 N2 C1 110.3(5) . . ?
C123 N3 C122 108.9(5) . . ?
C123 N3 C2 109.2(5) . . ?
C122 N3 C2 108.9(5) . . ?
C123 N3 Ag1 104.8(4) . . ?
C122 N3 Ag1 114.8(4) . . ?
C2 N3 Ag1 110.0(3) . . ?
C125 N4 C128 108.5(5) . . ?
C125 N4 C61 110.0(5) . . ?
C128 N4 C61 109.2(5) . . ?
C125 N4 Ag1 107.9(3) . . ?
C128 N4 Ag1 112.0(4) . . ?
C61 N4 Ag1 109.4(3) . . ?
C127 N5 C126 108.1(5) . . ?
C127 N5 C62 110.5(5) . . ?
C126 N5 C62 110.0(5) . . ?
N1 O1 Ag1 98.9(4) . . ?
N2 C1 C6 111.3(5) . . ?
N2 C1 C9 108.3(5) . . ?
C6 C1 C9 100.8(5) . . ?
N2 C1 C2 109.3(5) . . ?
C6 C1 C2 113.3(5) . . ?
C9 C1 C2 113.6(5) . . ?
C3 C2 N3 110.0(5) . . ?
C3 C2 C12 100.7(5) . . ?
N3 C2 C12 109.2(5) . . ?
C3 C2 C1 115.0(5) . . ?
N3 C2 C1 108.0(5) . . ?
C12 C2 C1 113.9(5) . . ?
C4 C3 C14 118.8(6) . . ?
C4 C3 C2 124.0(5) . . ?
C14 C3 C2 111.1(5) . . ?
C3 C4 C17 120.8(6) . . ?
C3 C4 C5 120.7(6) . . ?
C17 C4 C5 106.6(5) . . ?
C6 C5 C19 120.0(6) . . ?
C6 C5 C4 120.1(6) . . ?
C19 C5 C4 107.9(5) . . ?
C5 C6 C7 119.7(6) . . ?
C5 C6 C1 124.6(5) . . ?
C7 C6 C1 109.5(5) . . ?
C21 C7 C6 120.7(5) . . ?
C21 C7 C8 119.9(5) . . ?
C6 C7 C8 108.8(5) . . ?
C24 C8 C7 119.8(6) . . ?
C24 C8 C9 121.2(6) . . ?
C7 C8 C9 108.1(5) . . ?
C10 C9 C8 119.0(6) . . ?
C10 C9 C1 125.4(5) . . ?
C8 C9 C1 109.2(5) . . ?
C9 C10 C26 120.8(6) . . ?
C9 C10 C11 119.9(5) . . ?
C26 C10 C11 107.7(5) . . ?
C12 C11 C28 120.0(5) . . ?
C12 C11 C10 121.1(6) . . ?
C28 C11 C10 107.9(5) . . ?
C11 C12 C13 119.9(5) . . ?
C11 C12 C2 124.4(5) . . ?
C13 C12 C2 108.8(5) . . ?
C30 C13 C12 120.9(5) . . ?
C30 C13 C14 119.5(5) . . ?
C12 C13 C14 109.2(5) . . ?
C15 C14 C3 121.3(5) . . ?
C15 C14 C13 120.0(5) . . ?
C3 C14 C13 106.9(5) . . ?
C14 C15 C16 120.1(5) . . ?
C14 C15 C32 120.1(5) . . ?
C16 C15 C32 108.0(5) . . ?
C17 C16 C15 119.0(6) . . ?
C17 C16 C34 119.2(6) . . ?
C15 C16 C34 109.2(5) . . ?
C16 C17 C18 120.3(6) . . ?
C16 C17 C4 119.8(6) . . ?
C18 C17 C4 108.9(5) . . ?
C36 C18 C17 120.3(6) . . ?
C36 C18 C19 120.8(6) . . ?
C17 C18 C19 107.8(5) . . ?
C20 C19 C5 121.1(6) . . ?
C20 C19 C18 119.5(6) . . ?
C5 C19 C18 108.8(5) . . ?
C19 C20 C21 118.5(6) . . ?
C19 C20 C38 119.5(6) . . ?
C21 C20 C38 108.4(5) . . ?
C7 C21 C20 119.9(6) . . ?
C7 C21 C22 120.0(6) . . ?
C20 C21 C22 107.4(5) . . ?
C23 C22 C39 118.9(6) . . ?
C23 C22 C21 119.9(6) . . ?
C39 C22 C21 109.2(5) . . ?
C22 C23 C24 119.4(6) . . ?
C22 C23 C42 120.6(6) . . ?
C24 C23 C42 108.1(6) . . ?
C8 C24 C25 119.5(6) . . ?
C8 C24 C23 121.0(6) . . ?
C25 C24 C23 107.9(5) . . ?
C26 C25 C43 120.3(6) . . ?
C26 C25 C24 118.8(6) . . ?
C43 C25 C24 107.9(5) . . ?
C25 C26 C10 120.7(6) . . ?
C25 C26 C27 119.4(6) . . ?
C10 C26 C27 108.5(5) . . ?
C45 C27 C26 120.8(6) . . ?
C45 C27 C28 120.3(6) . . ?
C26 C27 C28 108.4(5) . . ?
C29 C28 C11 120.8(6) . . ?
C29 C28 C27 119.7(6) . . ?
C11 C28 C27 107.5(5) . . ?
C28 C29 C30 119.2(6) . . ?
C28 C29 C47 120.2(6) . . ?
C30 C29 C47 108.0(5) . . ?
C13 C30 C29 119.1(5) . . ?
C13 C30 C31 120.3(6) . . ?
C29 C30 C31 107.5(5) . . ?
C32 C31 C48 121.1(6) . . ?
C32 C31 C30 119.2(6) . . ?
C48 C31 C30 108.3(5) . . ?
C31 C32 C15 120.7(6) . . ?
C31 C32 C33 119.4(6) . . ?
C15 C32 C33 107.7(5) . . ?
C50 C33 C32 119.7(6) . . ?
C50 C33 C34 119.5(6) . . ?
C32 C33 C34 107.9(5) . . ?
C35 C34 C16 120.7(6) . . ?
C35 C34 C33 120.0(6) . . ?
C16 C34 C33 107.3(6) . . ?
C34 C35 C52 120.0(6) . . ?
C34 C35 C36 119.7(6) . . ?
C52 C35 C36 108.2(5) . . ?
C18 C36 C35 119.9(6) . . ?
C18 C36 C37 119.8(6) . . ?
C35 C36 C37 107.6(5) . . ?
C38 C37 C53 120.9(6) . . ?
C38 C37 C36 119.8(6) . . ?
C53 C37 C36 107.7(5) . . ?
C37 C38 C39 119.6(6) . . ?
C37 C38 C20 120.5(6) . . ?
C39 C38 C20 108.1(5) . . ?
C40 C39 C22 120.8(6) . . ?
C40 C39 C38 120.3(6) . . ?
C22 C39 C38 107.0(5) . . ?
C39 C40 C54 119.7(6) . . ?
C39 C40 C41 120.1(6) . . ?
C54 C40 C41 108.1(5) . . ?
C42 C41 C40 120.3(6) . . ?
C42 C41 C56 119.7(6) . . ?
C40 C41 C56 108.0(5) . . ?
C41 C42 C43 120.3(6) . . ?
C41 C42 C23 119.2(6) . . ?
C43 C42 C23 107.4(5) . . ?
C44 C43 C25 120.1(6) . . ?
C44 C43 C42 119.8(6) . . ?
C25 C43 C42 108.7(5) . . ?
C43 C44 C57 119.7(6) . . ?
C43 C44 C45 119.5(5) . . ?
C57 C44 C45 107.9(5) . . ?
C27 C45 C46 120.1(6) . . ?
C27 C45 C44 119.8(6) . . ?
C46 C45 C44 107.3(5) . . ?
C47 C46 C58 120.8(6) . . ?
C47 C46 C45 120.1(6) . . ?
C58 C46 C45 108.3(5) . . ?
C46 C47 C48 118.9(6) . . ?
C46 C47 C29 119.6(6) . . ?
C48 C47 C29 108.6(5) . . ?
C49 C48 C47 121.2(6) . . ?
C49 C48 C31 119.6(6) . . ?
C47 C48 C31 107.5(5) . . ?
C48 C49 C59 119.1(6) . . ?
C48 C49 C50 119.6(6) . . ?
C59 C49 C50 108.7(5) . . ?
C33 C50 C49 120.6(6) . . ?
C33 C50 C51 120.1(6) . . ?
C49 C50 C51 107.6(5) . . ?
C52 C51 C60 120.5(6) . . ?
C52 C51 C50 119.8(6) . . ?
C60 C51 C50 108.0(5) . . ?
C51 C52 C53 119.6(6) . . ?
C51 C52 C35 120.5(6) . . ?
C53 C52 C35 107.6(5) . . ?
C54 C53 C37 118.5(5) . . ?
C54 C53 C52 120.4(6) . . ?
C37 C53 C52 108.8(5) . . ?
C53 C54 C40 121.0(6) . . ?
C53 C54 C55 119.0(6) . . ?
C40 C54 C55 108.4(5) . . ?
C60 C55 C56 121.1(6) . . ?
C60 C55 C54 120.0(6) . . ?
C56 C55 C54 106.8(5) . . ?
C57 C56 C55 119.0(6) . . ?
C57 C56 C41 120.1(6) . . ?
C55 C56 C41 108.7(5) . . ?
C56 C57 C58 121.1(6) . . ?
C56 C57 C44 120.2(6) . . ?
C58 C57 C44 107.9(5) . . ?
C59 C58 C46 119.6(6) . . ?
C59 C58 C57 119.6(6) . . ?
C46 C58 C57 108.6(5) . . ?
C58 C59 C49 120.5(6) . . ?
C58 C59 C60 118.9(6) . . ?
C49 C59 C60 107.8(5) . . ?
C55 C60 C51 120.5(6) . . ?
C55 C60 C59 120.4(6) . . ?
C51 C60 C59 107.8(5) . . ?
N2 C121 C122 110.6(5) . . ?
N2 C121 H12A 109.5 . . ?
C122 C121 H12A 109.5 . . ?
N2 C121 H12B 109.5 . . ?
C122 C121 H12B 109.5 . . ?
H12A C121 H12B 108.1 . . ?
N3 C122 C121 109.3(5) . . ?
N3 C122 H12C 109.8 . . ?
C121 C122 H12C 109.8 . . ?
N3 C122 H12D 109.8 . . ?
C121 C122 H12D 109.8 . . ?
H12C C122 H12D 108.3 . . ?
N3 C123 C124 110.7(5) . . ?
N3 C123 H12E 109.5 . . ?
C124 C123 H12E 109.5 . . ?
N3 C123 H12F 109.5 . . ?
C124 C123 H12F 109.5 . . ?
H12E C123 H12F 108.1 . . ?
N2 C124 C123 110.4(5) . . ?
N2 C124 H12G 109.6 . . ?
C123 C124 H12G 109.6 . . ?
N2 C124 H12H 109.6 . . ?
C123 C124 H12H 109.6 . . ?
H12G C124 H12H 108.1 . . ?
N4 C61 C66 109.1(5) . . ?
N4 C61 C69 110.0(5) . . ?
C66 C61 C69 100.5(5) . . ?
N4 C61 C62 108.0(5) . . ?
C66 C61 C62 114.8(5) . . ?
C69 C61 C62 114.2(5) . . ?
N5 C62 C72 109.8(5) . . ?
N5 C62 C63 110.8(5) . . ?
C72 C62 C63 100.2(5) . . ?
N5 C62 C61 109.2(5) . . ?
C72 C62 C61 113.4(5) . . ?
C63 C62 C61 113.2(5) . . ?
C64 C63 C74 118.9(6) . . ?
C64 C63 C62 125.0(6) . . ?
C74 C63 C62 109.8(5) . . ?
C63 C64 C77 121.0(6) . . ?
C63 C64 C65 121.0(6) . . ?
C77 C64 C65 105.8(5) . . ?
C66 C65 C79 120.4(6) . . ?
C66 C65 C64 119.0(6) . . ?
C79 C65 C64 108.6(6) . . ?
C65 C66 C67 119.2(6) . . ?
C65 C66 C61 124.9(6) . . ?
C67 C66 C61 109.6(5) . . ?
C81 C67 C66 120.9(6) . . ?
C81 C67 C68 120.7(6) . . ?
C66 C67 C68 107.8(5) . . ?
C84 C68 C69 120.4(6) . . ?
C84 C68 C67 119.2(6) . . ?
C69 C68 C67 109.2(5) . . ?
C70 C69 C68 120.0(6) . . ?
C70 C69 C61 124.2(6) . . ?
C68 C69 C61 109.4(5) . . ?
C69 C70 C86 121.1(6) . . ?
C69 C70 C71 120.6(6) . . ?
C86 C70 C71 106.7(5) . . ?
C72 C71 C88 120.9(6) . . ?
C72 C71 C70 120.2(6) . . ?
C88 C71 C70 108.1(5) . . ?
C71 C72 C73 119.1(6) . . ?
C71 C72 C62 125.4(6) . . ?
C73 C72 C62 109.5(5) . . ?
C90 C73 C72 121.1(6) . . ?
C90 C73 C74 119.8(6) . . ?
C72 C73 C74 108.4(5) . . ?
C75 C74 C63 121.2(6) . . ?
C75 C74 C73 119.8(6) . . ?
C63 C74 C73 108.3(5) . . ?
C74 C75 C76 119.4(6) . . ?
C74 C75 C92 119.6(6) . . ?
C76 C75 C92 108.8(6) . . ?
C77 C76 C75 119.6(6) . . ?
C77 C76 C94 119.9(6) . . ?
C75 C76 C94 107.6(6) . . ?
C76 C77 C64 119.8(6) . . ?
C76 C77 C78 120.2(6) . . ?
C64 C77 C78 109.3(5) . . ?
C96 C78 C79 121.6(6) . . ?
C96 C78 C77 120.1(6) . . ?
C79 C78 C77 107.4(5) . . ?
C80 C79 C65 120.5(6) . . ?
C80 C79 C78 119.6(6) . . ?
C65 C79 C78 108.9(6) . . ?
C79 C80 C81 119.7(6) . . ?
C79 C80 C98 118.9(6) . . ?
C81 C80 C98 108.4(6) . . ?
C67 C81 C80 119.3(6) . . ?
C67 C81 C82 119.7(6) . . ?
C80 C81 C82 108.9(6) . . ?
C83 C82 C99 120.2(6) . . ?
C83 C82 C81 120.8(6) . . ?
C99 C82 C81 107.5(6) . . ?
C82 C83 C102 120.2(6) . . ?
C82 C83 C84 119.3(6) . . ?
C102 C83 C84 108.0(6) . . ?
C68 C84 C85 120.0(6) . . ?
C68 C84 C83 120.3(6) . . ?
C85 C84 C83 107.3(6) . . ?
C86 C85 C84 119.4(6) . . ?
C86 C85 C103 118.8(6) . . ?
C84 C85 C103 108.5(5) . . ?
C85 C86 C87 120.9(6) . . ?
C85 C86 C70 119.1(6) . . ?
C87 C86 C70 109.3(5) . . ?
C105 C87 C86 120.5(6) . . ?
C105 C87 C88 119.5(6) . . ?
C86 C87 C88 108.6(6) . . ?
C89 C88 C71 120.2(6) . . ?
C89 C88 C87 120.5(6) . . ?
C71 C88 C87 107.4(6) . . ?
C88 C89 C90 118.9(6) . . ?
C88 C89 C107 119.6(6) . . ?
C90 C89 C107 108.6(6) . . ?
C73 C90 C89 119.7(6) . . ?
C73 C90 C91 121.3(6) . . ?
C89 C90 C91 107.6(6) . . ?
C92 C91 C90 119.5(6) . . ?
C92 C91 C108 120.2(6) . . ?
C90 C91 C108 108.0(6) . . ?
C91 C92 C93 119.7(6) . . ?
C91 C92 C75 120.0(6) . . ?
C93 C92 C75 107.1(6) . . ?
C110 C93 C94 119.8(6) . . ?
C110 C93 C92 120.1(6) . . ?
C94 C93 C92 107.8(6) . . ?
C95 C94 C93 120.8(6) . . ?
C95 C94 C76 118.9(6) . . ?
C93 C94 C76 108.7(6) . . ?
C94 C95 C112 119.0(6) . . ?
C94 C95 C96 120.7(6) . . ?
C112 C95 C96 108.4(6) . . ?
C78 C96 C95 120.3(6) . . ?
C78 C96 C97 119.2(6) . . ?
C95 C96 C97 108.1(6) . . ?
C98 C97 C113 120.6(6) . . ?
C98 C97 C96 119.8(6) . . ?
C113 C97 C96 107.6(6) . . ?
C97 C98 C80 121.0(6) . . ?
C97 C98 C99 119.5(6) . . ?
C80 C98 C99 107.0(6) . . ?
C100 C99 C82 120.3(6) . . ?
C100 C99 C98 119.0(6) . . ?
C82 C99 C98 108.1(5) . . ?
C99 C100 C114 120.5(6) . . ?
C99 C100 C101 119.3(6) . . ?
C114 C100 C101 108.7(6) . . ?
C102 C101 C100 120.4(6) . . ?
C102 C101 C116 120.2(6) . . ?
C100 C101 C116 108.1(6) . . ?
C101 C102 C103 119.5(6) . . ?
C101 C102 C83 119.6(6) . . ?
C103 C102 C83 108.5(6) . . ?
C104 C103 C102 120.9(6) . . ?
C104 C103 C85 119.6(6) . . ?
C102 C103 C85 107.8(6) . . ?
C103 C104 C117 119.2(6) . . ?
C103 C104 C105 120.1(6) . . ?
C117 C104 C105 108.2(6) . . ?
C87 C105 C106 119.9(6) . . ?
C87 C105 C104 120.0(6) . . ?
C106 C105 C104 107.4(6) . . ?
C107 C106 C118 119.9(6) . . ?
C107 C106 C105 120.2(6) . . ?
C118 C106 C105 108.3(6) . . ?
C106 C107 C108 120.2(6) . . ?
C106 C107 C89 120.2(6) . . ?
C108 C107 C89 107.6(6) . . ?
C109 C108 C107 120.3(6) . . ?
C109 C108 C91 119.4(6) . . ?
C107 C108 C91 108.2(6) . . ?
C108 C109 C110 121.3(6) . . ?
C108 C109 C119 119.5(6) . . ?
C110 C109 C119 107.6(6) . . ?
C93 C110 C111 119.7(6) . . ?
C93 C110 C109 119.3(6) . . ?
C111 C110 C109 109.0(6) . . ?
C112 C111 C110 120.5(6) . . ?
C112 C111 C120 120.1(6) . . ?
C110 C111 C120 107.1(6) . . ?
C111 C112 C95 120.3(6) . . ?
C111 C112 C113 119.8(6) . . ?
C95 C112 C113 107.5(6) . . ?
C114 C113 C97 120.0(6) . . ?
C114 C113 C112 120.0(6) . . ?
C97 C113 C112 108.4(6) . . ?
C113 C114 C100 120.4(6) . . ?
C113 C114 C115 120.4(6) . . ?
C100 C114 C115 107.4(6) . . ?
C120 C115 C116 119.4(6) . . ?
C120 C115 C114 119.7(6) . . ?
C116 C115 C114 108.7(6) . . ?
C117 C116 C115 120.4(6) . . ?
C117 C116 C101 119.0(6) . . ?
C115 C116 C101 107.1(6) . . ?
C116 C117 C104 121.2(6) . . ?
C116 C117 C118 119.4(6) . . ?
C104 C117 C118 108.6(6) . . ?
C119 C118 C106 120.1(6) . . ?
C119 C118 C117 120.5(6) . . ?
C106 C118 C117 107.5(6) . . ?
C118 C119 C120 120.2(6) . . ?
C118 C119 C109 120.1(6) . . ?
C120 C119 C109 107.4(6) . . ?
C115 C120 C119 120.0(6) . . ?
C115 C120 C111 120.0(6) . . ?
C119 C120 C111 108.9(6) . . ?
N4 C125 C126 108.9(5) . . ?
N4 C125 H12I 109.9 . . ?
C126 C125 H12I 109.9 . . ?
N4 C125 H12J 109.9 . . ?
C126 C125 H12J 109.9 . . ?
H12I C125 H12J 108.3 . . ?
N5 C126 C125 111.5(5) . . ?
N5 C126 H12K 109.3 . . ?
C125 C126 H12K 109.3 . . ?
N5 C126 H12L 109.3 . . ?
C125 C126 H12L 109.3 . . ?
H12K C126 H12L 108.0 . . ?
N5 C127 C128 110.3(5) . . ?
N5 C127 H12M 109.6 . . ?
C128 C127 H12M 109.6 . . ?
N5 C127 H12N 109.6 . . ?
C128 C127 H12N 109.6 . . ?
H12M C127 H12N 108.1 . . ?
N4 C128 C127 109.4(5) . . ?
N4 C128 H12O 109.8 . . ?
C127 C128 H12O 109.8 . . ?
N4 C128 H12P 109.8 . . ?
C127 C128 H12P 109.8 . . ?
H12O C128 H12P 108.3 . . ?
Cl2 C129 Cl1 111.6(4) . . ?
Cl2 C129 H12Q 109.3 . . ?
Cl1 C129 H12Q 109.3 . . ?
Cl2 C129 H12R 109.3 . . ?
Cl1 C129 H12R 109.3 . . ?
H12Q C129 H12R 108.0 . . ?
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 N3 2.249(5) . ?
Ag1 N4 2.252(5) . ?
Ag1 O1 2.492(5) . ?
N1 O2 1.214(7) . ?
N1 O3 1.262(7) . ?
N1 O1 1.279(7) . ?
N2 C124 1.469(8) . ?
N2 C121 1.474(8) . ?
N2 C1 1.477(8) . ?
N3 C123 1.480(7) . ?
N3 C122 1.493(7) . ?
N3 C2 1.511(8) . ?
N4 C125 1.491(7) . ?
N4 C128 1.491(8) . ?
N4 C61 1.510(7) . ?
N5 C127 1.455(8) . ?
N5 C126 1.467(8) . ?
N5 C62 1.475(7) . ?
C1 C6 1.525(8) . ?
C1 C9 1.537(8) . ?
C1 C2 1.615(8) . ?
C2 C3 1.507(8) . ?
C2 C12 1.540(8) . ?
C3 C4 1.368(8) . ?
C3 C14 1.440(8) . ?
C4 C17 1.455(8) . ?
C4 C5 1.471(8) . ?
C5 C6 1.367(8) . ?
C5 C19 1.441(9) . ?
C6 C7 1.441(8) . ?
C7 C21 1.396(8) . ?
C7 C8 1.447(8) . ?
C8 C24 1.381(8) . ?
C8 C9 1.448(8) . ?
C9 C10 1.354(8) . ?
C10 C26 1.437(8) . ?
C10 C11 1.477(8) . ?
C11 C12 1.357(8) . ?
C11 C28 1.451(8) . ?
C12 C13 1.438(8) . ?
C13 C30 1.397(8) . ?
C13 C14 1.454(8) . ?
C14 C15 1.385(8) . ?
C15 C16 1.434(8) . ?
C15 C32 1.453(8) . ?
C16 C17 1.400(9) . ?
C16 C34 1.441(9) . ?
C17 C18 1.440(9) . ?
C18 C36 1.384(9) . ?
C18 C19 1.441(8) . ?
C19 C20 1.403(8) . ?
C20 C21 1.434(8) . ?
C20 C38 1.457(9) . ?
C21 C22 1.451(8) . ?
C22 C23 1.393(8) . ?
C22 C39 1.445(9) . ?
C23 C24 1.448(9) . ?
C23 C42 1.448(9) . ?
C24 C25 1.443(9) . ?
C25 C26 1.390(9) . ?
C25 C43 1.440(9) . ?
C26 C27 1.451(8) . ?
C27 C45 1.378(9) . ?
C27 C28 1.458(9) . ?
C28 C29 1.385(8) . ?
C29 C30 1.443(8) . ?
C29 C47 1.454(9) . ?
C30 C31 1.463(8) . ?
C31 C32 1.378(9) . ?
C31 C48 1.449(8) . ?
C32 C33 1.453(9) . ?
C33 C50 1.395(9) . ?
C33 C34 1.461(9) . ?
C34 C35 1.390(9) . ?
C35 C52 1.450(9) . ?
C35 C36 1.453(8) . ?
C36 C37 1.456(8) . ?
C37 C38 1.380(9) . ?
C37 C53 1.442(8) . ?
C38 C39 1.450(9) . ?
C39 C40 1.375(9) . ?
C40 C54 1.435(8) . ?
C40 C41 1.436(8) . ?
C41 C42 1.392(8) . ?
C41 C56 1.448(9) . ?
C42 C43 1.444(9) . ?
C43 C44 1.401(8) . ?
C44 C57 1.444(8) . ?
C44 C45 1.455(8) . ?
C45 C46 1.446(8) . ?
C46 C47 1.397(9) . ?
C46 C58 1.431(9) . ?
C47 C48 1.446(9) . ?
C48 C49 1.392(9) . ?
C49 C59 1.439(8) . ?
C49 C50 1.442(8) . ?
C50 C51 1.460(9) . ?
C51 C52 1.382(9) . ?
C51 C60 1.442(8) . ?
C52 C53 1.443(8) . ?
C53 C54 1.398(9) . ?
C54 C55 1.465(9) . ?
C55 C60 1.368(8) . ?
C55 C56 1.438(9) . ?
C56 C57 1.392(9) . ?
C57 C58 1.438(8) . ?
C58 C59 1.405(8) . ?
C59 C60 1.461(9) . ?
C121 C122 1.558(8) . ?
C121 H12A 0.9900 . ?
C121 H12B 0.9900 . ?
C122 H12C 0.9900 . ?
C122 H12D 0.9900 . ?
C123 C124 1.535(8) . ?
C123 H12E 0.9900 . ?
C123 H12F 0.9900 . ?
C124 H12G 0.9900 . ?
C124 H12H 0.9900 . ?
C61 C66 1.527(8) . ?
C61 C69 1.539(8) . ?
C61 C62 1.615(8) . ?
C62 C72 1.527(8) . ?
C62 C63 1.536(8) . ?
C63 C64 1.360(9) . ?
C63 C74 1.424(9) . ?
C64 C77 1.452(9) . ?
C64 C65 1.490(9) . ?
C65 C66 1.378(9) . ?
C65 C79 1.424(9) . ?
C66 C67 1.445(8) . ?
C67 C81 1.388(9) . ?
C67 C68 1.449(9) . ?
C68 C84 1.395(9) . ?
C68 C69 1.422(8) . ?
C69 C70 1.354(9) . ?
C70 C86 1.446(9) . ?
C70 C71 1.484(8) . ?
C71 C72 1.349(9) . ?
C71 C88 1.451(9) . ?
C72 C73 1.435(9) . ?
C73 C90 1.385(9) . ?
C73 C74 1.452(9) . ?
C74 C75 1.406(9) . ?
C75 C76 1.423(9) . ?
C75 C92 1.461(9) . ?
C76 C77 1.385(9) . ?
C76 C94 1.462(9) . ?
C77 C78 1.453(9) . ?
C78 C96 1.370(9) . ?
C78 C79 1.449(9) . ?
C79 C80 1.397(9) . ?
C80 C81 1.433(9) . ?
C80 C98 1.457(9) . ?
C81 C82 1.451(9) . ?
C82 C83 1.376(9) . ?
C82 C99 1.451(9) . ?
C83 C102 1.447(9) . ?
C83 C84 1.468(9) . ?
C84 C85 1.428(9) . ?
C85 C86 1.400(9) . ?
C85 C103 1.470(9) . ?
C86 C87 1.433(9) . ?
C87 C105 1.380(9) . ?
C87 C88 1.460(9) . ?
C88 C89 1.378(9) . ?
C89 C90 1.442(9) . ?
C89 C107 1.449(9) . ?
C90 C91 1.443(9) . ?
C91 C92 1.397(9) . ?
C91 C108 1.454(9) . ?
C92 C93 1.461(9) . ?
C93 C110 1.394(9) . ?
C93 C94 1.431(9) . ?
C94 C95 1.394(9) . ?
C95 C112 1.439(9) . ?
C95 C96 1.443(9) . ?
C96 C97 1.462(9) . ?
C97 C98 1.382(9) . ?
C97 C113 1.434(9) . ?
C98 C99 1.470(9) . ?
C99 C100 1.386(9) . ?
C100 C114 1.435(9) . ?
C100 C101 1.448(9) . ?
C101 C102 1.399(9) . ?
C101 C116 1.452(9) . ?
C102 C103 1.426(9) . ?
C103 C104 1.395(9) . ?
C104 C117 1.434(9) . ?
C104 C105 1.456(9) . ?
C105 C106 1.453(9) . ?
C106 C107 1.380(9) . ?
C106 C118 1.447(9) . ?
C107 C108 1.437(9) . ?
C108 C109 1.386(9) . ?
C109 C110 1.449(10) . ?
C109 C119 1.451(9) . ?
C110 C111 1.431(9) . ?
C111 C112 1.387(9) . ?
C111 C120 1.452(9) . ?
C112 C113 1.466(9) . ?
C113 C114 1.377(9) . ?
C114 C115 1.454(9) . ?
C115 C120 1.397(9) . ?
C115 C116 1.450(9) . ?
C116 C117 1.385(9) . ?
C117 C118 1.451(9) . ?
C118 C119 1.377(9) . ?
C119 C120 1.439(9) . ?
C125 C126 1.548(8) . ?
C125 H12I 0.9900 . ?
C125 H12J 0.9900 . ?
C126 H12K 0.9900 . ?
C126 H12L 0.9900 . ?
C127 C128 1.568(8) . ?
C127 H12M 0.9900 . ?
C127 H12N 0.9900 . ?
C128 H12O 0.9900 . ?
C128 H12P 0.9900 . ?
Cl1 C129 1.755(7) . ?
Cl2 C129 1.742(7) . ?
C129 H12Q 0.9900 . ?
C129 H12R 0.9900 . ?
O4 C130 1.42(2) . ?
O5 C131 1.400(19) . ?
