#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/10/7011034.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_7011034
loop_
_publ_author_name
'Jacqueline Hamblin'
'Laura J. Childs'
'Nathaniel W. Alcock'
'Michael J. Hannon'
_publ_section_title
;
 Directed one-pot syntheses of enantiopure dinuclear silver(I) and
 copper(I) metallo-supramolecular double helicates
;
_journal_issue                   2
_journal_name_full               'J. Chem. Soc., Dalton Trans.'
_journal_page_first              164
_journal_page_last               169
_journal_paper_doi               10.1039/b106987j
_journal_year                    2002
_chemical_formula_sum            'C147.5 H107 Ag4 F24 N16 P4'
_chemical_formula_weight         3114.85
_chemical_name_systematic
;
?
;
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 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                 108.6280(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   13.1740(2)
_cell_length_b                   32.1983(2)
_cell_length_c                   17.9687(3)
_cell_measurement_reflns_used    8192
_cell_measurement_temperature    180(2)
_cell_measurement_theta_max      20
_cell_measurement_theta_min      3
_cell_volume                     7222.67(17)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      180(2)
_diffrn_measured_fraction_theta_full 0.882
_diffrn_measured_fraction_theta_max 0.882
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'normal focus'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0766
_diffrn_reflns_av_sigmaI/netI    0.2322
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       40
_diffrn_reflns_limit_k_min       -42
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            46496
_diffrn_reflns_theta_full        29.32
_diffrn_reflns_theta_max         29.32
_diffrn_reflns_theta_min         1.69
_exptl_absorpt_coefficient_mu    0.664
_exptl_absorpt_correction_T_max  0.93
_exptl_absorpt_correction_T_min  0.50
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.432
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plates
_exptl_crystal_F_000             3136
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.36
_exptl_crystal_size_min          0.2
_refine_diff_density_max         0.566
_refine_diff_density_min         -0.477
_refine_diff_density_rms         0.070
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.01(2)
_refine_ls_extinction_coef       0.00094(10)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   0.900
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           fullcycle
_refine_ls_number_parameters     1706
_refine_ls_number_reflns         31159
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      0.900
_refine_ls_R_factor_all          0.2412
_refine_ls_R_factor_gt           0.0662
_refine_ls_shift/su_max          0.240
_refine_ls_shift/su_mean         0.027
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0600P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1182
_refine_ls_wR_factor_ref         0.1700
_reflns_number_gt                10830
_reflns_number_total             31159
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b106987j.txt
_cod_data_source_block           biag
_cod_original_sg_symbol_H-M      P2(1)
_cod_original_formula_sum        'C147.50 H107 Ag4 F24 N16 P4'
_cod_database_code               7011034
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.81319(5) 0.49234(5) 1.09618(5) 0.0646(3) Uani 1 1 d . . .
Ag2 Ag 0.77332(6) 0.41666(5) 0.93588(5) 0.0728(3) Uani 1 1 d . . .
Ag3 Ag 0.94531(5) 0.66847(5) 0.44178(5) 0.0639(3) Uani 1 1 d . . .
Ag4 Ag 1.01297(6) 0.74463(5) 0.59745(5) 0.0723(3) Uani 1 1 d . . .
N11 N 0.7014(7) 0.5208(2) 1.1683(6) 0.062(2) Uani 1 1 d . . .
C12 C 0.7240(11) 0.5270(3) 1.2479(8) 0.084(4) Uani 1 1 d . . .
H12A H 0.7897 0.5173 1.2836 0.101 Uiso 1 1 calc R . .
C13 C 0.6493(15) 0.5477(4) 1.2764(9) 0.104(5) Uani 1 1 d . . .
H13A H 0.6662 0.5534 1.3310 0.125 Uiso 1 1 calc R . .
C14 C 0.5568(12) 0.5592(5) 1.2273(11) 0.105(5) Uani 1 1 d . . .
H14A H 0.5045 0.5714 1.2467 0.126 Uiso 1 1 calc R . .
C15 C 0.5351(9) 0.5537(4) 1.1491(9) 0.081(4) Uani 1 1 d . . .
H15A H 0.4690 0.5635 1.1140 0.098 Uiso 1 1 calc R . .
C16 C 0.6064(8) 0.5344(3) 1.1196(7) 0.057(3) Uani 1 1 d . . .
C17 C 0.5808(8) 0.5266(3) 1.0359(6) 0.058(3) Uani 1 1 d . . .
H17A H 0.5117 0.5338 1.0017 0.069 Uiso 1 1 calc R . .
N18 N 0.6491(6) 0.5101(2) 1.0066(5) 0.057(2) Uani 1 1 d . . .
C19 C 0.6177(7) 0.5029(3) 0.9268(6) 0.049(2) Uani 1 1 d . . .
N21 N 0.9629(6) 0.5351(3) 1.1718(5) 0.065(2) Uani 1 1 d . . .
C22 C 0.9651(9) 0.5747(4) 1.1885(7) 0.085(4) Uani 1 1 d . . .
H22A H 0.8987 0.5891 1.1747 0.102 Uiso 1 1 calc R . .
C23 C 1.0574(12) 0.5973(4) 1.2248(8) 0.094(4) Uani 1 1 d . . .
H23A H 1.0543 0.6261 1.2351 0.112 Uiso 1 1 calc R . .
C24 C 1.1494(11) 0.5773(5) 1.2445(7) 0.099(4) Uani 1 1 d . . .
H24A H 1.2144 0.5919 1.2685 0.119 Uiso 1 1 calc R . .
C25 C 1.1516(9) 0.5331(4) 1.2296(7) 0.084(4) Uani 1 1 d . . .
H25A H 1.2167 0.5179 1.2467 0.100 Uiso 1 1 calc R . .
C26 C 1.0571(8) 0.5141(4) 1.1904(6) 0.063(3) Uani 1 1 d . . .
C27 C 1.0514(8) 0.4707(3) 1.1675(6) 0.063(3) Uani 1 1 d . . .
H27A H 1.1157 0.4549 1.1844 0.076 Uiso 1 1 calc R . .
N28 N 0.9678(6) 0.4526(3) 1.1270(5) 0.057(2) Uani 1 1 d . . .
C29 C 0.9689(7) 0.4111(3) 1.1035(5) 0.053(3) Uani 1 1 d . . .
C110 C 0.5183(7) 0.4854(3) 0.8871(7) 0.079(3) Uani 1 1 d . . .
H11A H 0.4699 0.4788 0.9149 0.094 Uiso 1 1 calc R . .
C111 C 0.4901(10) 0.4773(4) 0.8070(9) 0.099(4) Uani 1 1 d . . .
H11B H 0.4215 0.4659 0.7806 0.119 Uiso 1 1 calc R . .
C112 C 0.5615(12) 0.4858(4) 0.7636(9) 0.100(4) Uani 1 1 d . . .
C113 C 0.5360(16) 0.4771(6) 0.6772(11) 0.160(8) Uani 1 1 d . . .
H11C H 0.4673 0.4670 0.6475 0.192 Uiso 1 1 calc R . .
C114 C 0.6099(19) 0.4835(7) 0.6428(11) 0.154(8) Uani 1 1 d . . .
H11D H 0.5974 0.4755 0.5897 0.185 Uiso 1 1 calc R . .
C115 C 0.7056(15) 0.5020(6) 0.6856(11) 0.153(7) Uani 1 1 d . . .
H11E H 0.7542 0.5096 0.6586 0.184 Uiso 1 1 calc R . .
C116 C 0.7331(12) 0.5097(4) 0.7609(9) 0.108(5) Uani 1 1 d . . .
H11F H 0.8016 0.5214 0.7866 0.130 Uiso 1 1 calc R . .
C117 C 0.6631(11) 0.5011(5) 0.8057(8) 0.096(4) Uani 1 1 d . . .
C118 C 0.6924(9) 0.5110(3) 0.8874(6) 0.064(3) Uani 1 1 d . . .
C119 C 0.7986(9) 0.5293(3) 0.9306(6) 0.056(3) Uani 1 1 d . . .
C120 C 0.8030(10) 0.5734(4) 0.9534(6) 0.069(3) Uani 1 1 d . . .
C121 C 0.7149(10) 0.5989(4) 0.9382(6) 0.074(3) Uani 1 1 d . . .
H12B H 0.6467 0.5884 0.9083 0.088 Uiso 1 1 calc R . .
C122 C 0.7226(14) 0.6397(5) 0.9650(8) 0.100(4) Uani 1 1 d . . .
H12C H 0.6592 0.6556 0.9566 0.120 Uiso 1 1 calc R . .
C123 C 0.8173(16) 0.6569(5) 1.0024(8) 0.104(5) Uani 1 1 d . . .
H12D H 0.8206 0.6850 1.0190 0.124 Uiso 1 1 calc R . .
C124 C 0.9108(14) 0.6341(4) 1.0170(8) 0.095(4) Uani 1 1 d . . .
H12E H 0.9782 0.6466 1.0430 0.114 Uiso 1 1 calc R . .
C125 C 0.9054(11) 0.5910(4) 0.9925(6) 0.075(3) Uani 1 1 d . . .
C126 C 0.9977(10) 0.5669(4) 1.0062(8) 0.094(4) Uani 1 1 d . . .
H12F H 1.0657 0.5785 1.0337 0.113 Uiso 1 1 calc R . .
C127 C 0.9906(8) 0.5268(4) 0.9802(7) 0.073(3) Uani 1 1 d . . .
H12G H 1.0543 0.5113 0.9875 0.088 Uiso 1 1 calc R . .
C128 C 0.8929(9) 0.5086(4) 0.9437(6) 0.063(3) Uani 1 1 d . . .
N129 N 0.8870(6) 0.4675(3) 0.9165(5) 0.056(2) Uani 1 1 d . . .
C130 C 0.9495(9) 0.4547(3) 0.8837(6) 0.068(3) Uani 1 1 d . . .
H13B H 1.0007 0.4738 0.8766 0.082 Uiso 1 1 calc R . .
C131 C 0.9511(8) 0.4117(4) 0.8541(6) 0.066(3) Uani 1 1 d . . .
C132 C 1.0137(10) 0.4015(4) 0.8099(8) 0.099(4) Uani 1 1 d . . .
H13C H 1.0596 0.4220 0.8002 0.119 Uiso 1 1 calc R . .
C133 C 1.0131(13) 0.3599(6) 0.7767(11) 0.138(6) Uani 1 1 d . . .
H13D H 1.0561 0.3520 0.7455 0.166 Uiso 1 1 calc R . .
C134 C 0.9451(16) 0.3345(5) 0.7952(10) 0.131(6) Uani 1 1 d . . .
H13E H 0.9384 0.3071 0.7744 0.157 Uiso 1 1 calc R . .
C135 C 0.8854(12) 0.3443(4) 0.8407(9) 0.114(5) Uani 1 1 d . . .
H13F H 0.8428 0.3234 0.8537 0.137 Uiso 1 1 calc R . .
N136 N 0.8844(8) 0.3843(3) 0.8694(5) 0.079(3) Uani 1 1 d . . .
C210 C 1.0530(8) 0.3976(4) 1.0751(6) 0.067(3) Uani 1 1 d . . .
H21A H 1.1059 0.4170 1.0724 0.081 Uiso 1 1 calc R . .
C211 C 1.0597(9) 0.3578(4) 1.0520(7) 0.077(3) Uani 1 1 d . . .
H21B H 1.1175 0.3495 1.0344 0.092 Uiso 1 1 calc R . .
C212 C 0.9800(9) 0.3289(3) 1.0542(7) 0.067(3) Uani 1 1 d . . .
C213 C 0.9815(11) 0.2892(4) 1.0239(8) 0.104(4) Uani 1 1 d . . .
H21C H 1.0364 0.2808 1.0034 0.124 Uiso 1 1 calc R . .
C214 C 0.8997(16) 0.2626(4) 1.0248(9) 0.129(6) Uani 1 1 d . . .
H21D H 0.8999 0.2352 1.0051 0.155 Uiso 1 1 calc R . .
C215 C 0.8177(12) 0.2738(4) 1.0531(10) 0.119(5) Uani 1 1 d . . .
H21E H 0.7655 0.2537 1.0545 0.142 Uiso 1 1 calc R . .
C216 C 0.8101(9) 0.3133(3) 1.0792(7) 0.082(4) Uani 1 1 d . . .
H21F H 0.7515 0.3212 1.0961 0.098 Uiso 1 1 calc R . .
C217 C 0.8904(9) 0.3415(3) 1.0803(6) 0.067(3) Uani 1 1 d . . .
C218 C 0.8868(8) 0.3839(3) 1.1044(6) 0.055(3) Uani 1 1 d . . .
C219 C 0.8040(7) 0.3975(3) 1.1403(6) 0.050(3) Uani 1 1 d . . .
C220 C 0.8278(9) 0.4051(3) 1.2222(6) 0.058(3) Uani 1 1 d . . .
C221 C 0.9337(9) 0.4031(3) 1.2755(7) 0.071(3) Uani 1 1 d . . .
H22B H 0.9905 0.3947 1.2569 0.086 Uiso 1 1 calc R . .
C222 C 0.9553(10) 0.4130(3) 1.3527(7) 0.072(3) Uani 1 1 d . . .
H22C H 1.0277 0.4121 1.3859 0.086 Uiso 1 1 calc R . .
C223 C 0.8803(13) 0.4240(4) 1.3840(8) 0.097(4) Uani 1 1 d . . .
H22D H 0.8980 0.4292 1.4388 0.116 Uiso 1 1 calc R . .
C224 C 0.7735(13) 0.4278(4) 1.3337(8) 0.098(4) Uani 1 1 d . . .
H22E H 0.7195 0.4374 1.3541 0.117 Uiso 1 1 calc R . .
C225 C 0.7469(9) 0.4175(3) 1.2536(7) 0.066(3) Uani 1 1 d . . .
C226 C 0.6403(10) 0.4215(4) 1.2000(9) 0.100(4) Uani 1 1 d . . .
H22F H 0.5848 0.4301 1.2197 0.119 Uiso 1 1 calc R . .
C227 C 0.6157(7) 0.4135(4) 1.1218(7) 0.071(3) Uani 1 1 d . . .
H22G H 0.5439 0.4158 1.0879 0.085 Uiso 1 1 calc R . .
C228 C 0.6957(8) 0.4020(3) 1.0925(6) 0.055(3) Uani 1 1 d . . .
N229 N 0.6710(7) 0.3946(3) 1.0115(6) 0.072(3) Uani 1 1 d . . .
C230 C 0.5808(9) 0.3767(3) 0.9729(8) 0.081(4) Uani 1 1 d . . .
H23B H 0.5362 0.3669 1.0015 0.098 Uiso 1 1 calc R . .
C231 C 0.5451(11) 0.3711(4) 0.8876(9) 0.099(4) Uani 1 1 d . . .
C232 C 0.4416(10) 0.3595(4) 0.8489(10) 0.103(5) Uani 1 1 d . . .
H23C H 0.3934 0.3526 0.8767 0.124 Uiso 1 1 calc R . .
C233 C 0.4109(13) 0.3580(6) 0.7701(12) 0.132(6) Uani 1 1 d . . .
H23D H 0.3398 0.3490 0.7441 0.159 Uiso 1 1 calc R . .
C234 C 0.4706(16) 0.3681(6) 0.7239(11) 0.157(8) Uani 1 1 d . . .
H23E H 0.4465 0.3671 0.6681 0.188 Uiso 1 1 calc R . .
C235 C 0.5701(14) 0.3800(5) 0.7690(9) 0.132(6) Uani 1 1 d . . .
H23F H 0.6177 0.3869 0.7408 0.159 Uiso 1 1 calc R . .
N236 N 0.6118(8) 0.3835(3) 0.8479(7) 0.090(3) Uani 1 1 d . . .
N31 N 0.9154(7) 0.8003(3) 0.6344(7) 0.067(2) Uani 1 1 d . . .
C32 C 0.9016(10) 0.8078(4) 0.7052(8) 0.080(4) Uani 1 1 d . . .
H32A H 0.9408 0.7920 0.7497 0.096 Uiso 1 1 calc R . .
C33 C 0.8309(12) 0.8384(5) 0.7135(10) 0.103(5) Uani 1 1 d . . .
H33A H 0.8221 0.8438 0.7631 0.123 Uiso 1 1 calc R . .
C34 C 0.7747(10) 0.8602(4) 0.6479(12) 0.097(5) Uani 1 1 d . . .
H34A H 0.7252 0.8805 0.6531 0.116 Uiso 1 1 calc R . .
C35 C 0.7857(9) 0.8542(4) 0.5726(10) 0.093(4) Uani 1 1 d . . .
H35A H 0.7472 0.8700 0.5279 0.111 Uiso 1 1 calc R . .
C36 C 0.8600(9) 0.8220(4) 0.5698(9) 0.073(3) Uani 1 1 d . . .
C37 C 0.8746(8) 0.8114(3) 0.4942(8) 0.069(3) Uani 1 1 d . . .
H37A H 0.8406 0.8282 0.4497 0.082 Uiso 1 1 calc R . .
N38 N 0.9299(6) 0.7813(2) 0.4861(5) 0.055(2) Uani 1 1 d . . .
C39 C 0.9351(7) 0.7702(3) 0.4101(7) 0.052(3) Uani 1 1 d . . .
N41 N 1.1705(7) 0.7567(4) 0.7050(6) 0.089(3) Uani 1 1 d . . .
C42 C 1.2229(12) 0.7948(5) 0.7215(9) 0.105(5) Uani 1 1 d . . .
H42A H 1.1920 0.8188 0.6924 0.126 Uiso 1 1 calc R . .
C43 C 1.3151(19) 0.7972(6) 0.7772(15) 0.147(9) Uani 1 1 d . . .
H43A H 1.3511 0.8232 0.7858 0.177 Uiso 1 1 calc R . .
C44 C 1.3571(13) 0.7685(9) 0.8182(14) 0.175(12) Uani 1 1 d . . .
H44A H 1.4235 0.7730 0.8582 0.210 Uiso 1 1 calc R . .
C45 C 1.3085(12) 0.7248(6) 0.8087(9) 0.156(8) Uani 1 1 d . . .
H45A H 1.3414 0.7021 0.8412 0.187 Uiso 1 1 calc R . .
C46 C 1.2072(10) 0.7213(6) 0.7454(8) 0.107(5) Uani 1 1 d . . .
C47 C 1.1463(9) 0.6830(4) 0.7192(7) 0.078(4) Uani 1 1 d . . .
H47A H 1.1677 0.6585 0.7496 0.094 Uiso 1 1 calc R . .
N48 N 1.0679(6) 0.6816(3) 0.6586(5) 0.061(2) Uani 1 1 d . . .
C310 C 0.8398(7) 0.7728(3) 0.3429(7) 0.059(3) Uani 1 1 d . . .
H31A H 0.7749 0.7818 0.3499 0.071 Uiso 1 1 calc R . .
C311 C 0.8403(9) 0.7626(3) 0.2705(7) 0.066(3) Uani 1 1 d . . .
H31B H 0.7778 0.7666 0.2266 0.079 Uiso 1 1 calc R . .
C312 C 0.9331(7) 0.7460(3) 0.2597(6) 0.057(3) Uani 1 1 d . . .
C313 C 0.9355(10) 0.7335(3) 0.1818(7) 0.079(3) Uani 1 1 d . . .
H31C H 0.8731 0.7359 0.1372 0.094 Uiso 1 1 calc R . .
C314 C 1.0266(11) 0.7186(4) 0.1742(7) 0.077(3) Uani 1 1 d . . .
H31D H 1.0271 0.7107 0.1234 0.093 Uiso 1 1 calc R . .
C315 C 1.1206(9) 0.7142(3) 0.2371(7) 0.070(3) Uani 1 1 d . . .
H31E H 1.1830 0.7034 0.2285 0.084 Uiso 1 1 calc R . .
C316 C 1.1236(8) 0.7256(3) 0.3126(7) 0.061(3) Uani 1 1 d . . .
H31F H 1.1884 0.7227 0.3550 0.073 Uiso 1 1 calc R . .
C317 C 1.0287(7) 0.7419(3) 0.3275(6) 0.055(3) Uani 1 1 d . . .
C318 C 1.0260(7) 0.7543(3) 0.4010(6) 0.042(2) Uani 1 1 d . . .
C319 C 1.1314(8) 0.7544(3) 0.4701(6) 0.057(3) Uani 1 1 d . . .
C320 C 1.1863(9) 0.7944(4) 0.4889(7) 0.074(3) Uani 1 1 d . . .
C321 C 1.1464(11) 0.8326(5) 0.4508(9) 0.108(5) Uani 1 1 d . . .
H32B H 1.0783 0.8336 0.4113 0.129 Uiso 1 1 calc R . .
C322 C 1.2057(15) 0.8676(4) 0.4710(12) 0.134(6) Uani 1 1 d . . .
H32C H 1.1788 0.8935 0.4476 0.160 Uiso 1 1 calc R . .
C323 C 1.3088(16) 0.8648(7) 0.5280(13) 0.151(8) Uani 1 1 d . . .
H32D H 1.3535 0.8887 0.5360 0.181 Uiso 1 1 calc R . .
C324 C 1.3487(12) 0.8305(6) 0.5720(11) 0.123(6) Uani 1 1 d . . .
H32E H 1.4123 0.8318 0.6159 0.148 Uiso 1 1 calc R . .
C325 C 1.2936(10) 0.7943(5) 0.5506(8) 0.084(4) Uani 1 1 d . . .
C326 C 1.3314(8) 0.7561(5) 0.5874(7) 0.091(4) Uani 1 1 d . . .
H32F H 1.3977 0.7558 0.6289 0.109 Uiso 1 1 calc R . .
C327 C 1.2768(8) 0.7192(4) 0.5661(7) 0.079(4) Uani 1 1 d . . .
H32G H 1.3062 0.6944 0.5930 0.095 Uiso 1 1 calc R . .
C328 C 1.1795(7) 0.7177(4) 0.5061(6) 0.060(3) Uani 1 1 d . . .
N329 N 1.1257(6) 0.6796(3) 0.4795(5) 0.055(2) Uani 1 1 d . . .
C330 C 1.1816(8) 0.6477(4) 0.4759(6) 0.064(3) Uani 1 1 d . . .
H33B H 1.2571 0.6510 0.4902 0.077 Uiso 1 1 calc R . .
C331 C 1.1381(9) 0.6072(3) 0.4516(6) 0.058(3) Uani 1 1 d . . .
C332 C 1.2003(10) 0.5707(5) 0.4560(7) 0.089(4) Uani 1 1 d . . .
H33C H 1.2761 0.5732 0.4758 0.107 Uiso 1 1 calc R . .
C333 C 1.1573(12) 0.5321(5) 0.4333(10) 0.108(5) Uani 1 1 d . . .
H33D H 1.2008 0.5082 0.4373 0.129 Uiso 1 1 calc R . .
C334 C 1.0495(14) 0.5303(4) 0.4051(9) 0.110(5) Uani 1 1 d . . .
H33E H 1.0156 0.5044 0.3879 0.132 Uiso 1 1 calc R . .
C335 C 0.9846(9) 0.5669(4) 0.4003(7) 0.071(3) Uani 1 1 d . . .
H33F H 0.9088 0.5645 0.3806 0.085 Uiso 1 1 calc R . .
N336 N 1.0286(7) 0.6039(3) 0.4230(5) 0.058(2) Uani 1 1 d . . .
C409 C 1.0210(9) 0.6420(4) 0.6314(6) 0.064(3) Uani 1 1 d . . .
C410 C 1.0868(8) 0.6085(4) 0.6319(6) 0.069(3) Uani 1 1 d . . .
H41A H 1.1622 0.6115 0.6539 0.083 Uiso 1 1 calc R . .
C411 C 1.0463(10) 0.5727(4) 0.6024(7) 0.080(4) Uani 1 1 d . . .
H41B H 1.0933 0.5505 0.6008 0.096 Uiso 1 1 calc R . .
C412 C 0.9310(9) 0.5659(3) 0.5719(6) 0.066(3) Uani 1 1 d . . .
C413 C 0.8873(11) 0.5256(3) 0.5395(8) 0.083(4) Uani 1 1 d . . .
H41C H 0.9335 0.5028 0.5404 0.099 Uiso 1 1 calc R . .
C414 C 0.7813(12) 0.5216(3) 0.5085(8) 0.088(4) Uani 1 1 d . . .
H41D H 0.7518 0.4955 0.4875 0.106 Uiso 1 1 calc R . .
C415 C 0.7133(10) 0.5549(4) 0.5066(7) 0.083(4) Uani 1 1 d . . .
H41E H 0.6381 0.5512 0.4844 0.099 Uiso 1 1 calc R . .
C416 C 0.7528(9) 0.5933(3) 0.5364(6) 0.065(3) Uani 1 1 d . . .
H41F H 0.7040 0.6153 0.5344 0.078 Uiso 1 1 calc R . .
C417 C 0.8623(8) 0.6006(3) 0.5691(6) 0.058(3) Uani 1 1 d . . .
C418 C 0.9098(8) 0.6411(3) 0.5997(6) 0.057(3) Uani 1 1 d . . .
C419 C 0.8410(7) 0.6749(3) 0.6067(7) 0.058(3) Uani 1 1 d . . .
C420 C 0.8302(9) 0.6866(4) 0.6795(7) 0.070(3) Uani 1 1 d . . .
C421 C 0.8920(10) 0.6670(4) 0.7503(8) 0.100(4) Uani 1 1 d . . .
H42B H 0.9414 0.6461 0.7473 0.120 Uiso 1 1 calc R . .
C422 C 0.8848(16) 0.6761(7) 0.8197(11) 0.172(8) Uani 1 1 d . . .
H42C H 0.9209 0.6598 0.8645 0.207 Uiso 1 1 calc R . .
C423 C 0.822(2) 0.7106(7) 0.8257(11) 0.167(8) Uani 1 1 d . . .
H42D H 0.8233 0.7200 0.8761 0.200 Uiso 1 1 calc R . .
C424 C 0.7571(12) 0.7315(5) 0.7581(10) 0.108(5) Uani 1 1 d . . .
H42E H 0.7103 0.7533 0.7618 0.130 Uiso 1 1 calc R . .
C425 C 0.7647(10) 0.7188(4) 0.6848(8) 0.082(3) Uani 1 1 d . . .
C426 C 0.7008(9) 0.7393(4) 0.6162(9) 0.079(3) Uani 1 1 d . . .
H42F H 0.6529 0.7606 0.6201 0.094 Uiso 1 1 calc R . .
C427 C 0.7078(8) 0.7282(3) 0.5423(7) 0.068(3) Uani 1 1 d . . .
H42G H 0.6676 0.7427 0.4963 0.082 Uiso 1 1 calc R . .
C428 C 0.7778(7) 0.6940(3) 0.5378(7) 0.054(3) Uani 1 1 d . . .
N429 N 0.7873(6) 0.6834(2) 0.4629(6) 0.055(2) Uani 1 1 d . . .
C430 C 0.7040(8) 0.6825(3) 0.4034(7) 0.061(3) Uani 1 1 d . . .
H43B H 0.6370 0.6889 0.4099 0.073 Uiso 1 1 calc R . .
C431 C 0.7068(8) 0.6723(3) 0.3285(7) 0.062(3) Uani 1 1 d . . .
C432 C 0.6139(8) 0.6729(5) 0.2586(8) 0.099(4) Uani 1 1 d . . .
H43C H 0.5448 0.6786 0.2621 0.119 Uiso 1 1 calc R . .
C433 C 0.6268(10) 0.6653(4) 0.1886(8) 0.098(4) Uani 1 1 d . . .
H43D H 0.5667 0.6674 0.1423 0.117 Uiso 1 1 calc R . .
C434 C 0.7239(12) 0.6545(4) 0.1820(9) 0.110(5) Uani 1 1 d . . .
H43E H 0.7316 0.6468 0.1330 0.131 Uiso 1 1 calc R . .
C435 C 0.8109(9) 0.6554(3) 0.2506(9) 0.079(4) Uani 1 1 d . . .
H43F H 0.8799 0.6503 0.2465 0.094 Uiso 1 1 calc R . .
N436 N 0.8041(6) 0.6629(3) 0.3205(5) 0.060(2) Uani 1 1 d . . .
P1 P 0.6620(3) 0.77938(14) 0.9883(3) 0.1061(14) Uani 1 1 d . . .
F11 F 0.6630(11) 0.7553(6) 1.0581(9) 0.314(11) Uani 1 1 d . . .
F12 F 0.6676(15) 0.8009(4) 0.9155(10) 0.301(9) Uani 1 1 d . . .
F13 F 0.7192(8) 0.8141(3) 1.0442(8) 0.216(6) Uani 1 1 d . . .
F14 F 0.6097(7) 0.7458(4) 0.9321(8) 0.221(6) Uani 1 1 d . . .
F15 F 0.5510(8) 0.8001(4) 0.9771(8) 0.249(8) Uani 1 1 d . . .
F16 F 0.7735(7) 0.7603(3) 0.9974(6) 0.174(4) Uani 1 1 d . . .
P2 P 0.4345(3) 0.46796(13) 0.3771(3) 0.0979(13) Uani 1 1 d . . .
F21 F 0.5524(7) 0.4757(4) 0.4181(8) 0.230(6) Uani 1 1 d . . .
F22 F 0.3139(6) 0.4605(3) 0.3395(8) 0.229(7) Uani 1 1 d . . .
F23 F 0.4271(10) 0.5016(4) 0.3164(9) 0.251(7) Uani 1 1 d . . .
F24 F 0.4330(12) 0.4361(5) 0.4394(9) 0.275(8) Uani 1 1 d . . .
F25 F 0.4147(14) 0.5022(5) 0.4292(12) 0.300(9) Uani 1 1 d . . .
F26 F 0.4556(10) 0.4316(5) 0.3318(10) 0.291(9) Uani 1 1 d . . .
P3 P 0.8458(3) 0.92791(14) 0.3765(2) 0.1004(12) Uani 1 1 d . . .
F31 F 0.8797(10) 0.8834(3) 0.3583(9) 0.224(6) Uani 1 1 d . . .
F32 F 0.8120(14) 0.9712(4) 0.3824(9) 0.272(8) Uani 1 1 d . . .
F33 F 0.7468(7) 0.9102(4) 0.3914(6) 0.189(4) Uani 1 1 d . . .
F34 F 0.9439(8) 0.9467(3) 0.3584(7) 0.196(5) Uani 1 1 d . . .
F35 F 0.9062(10) 0.9257(6) 0.4625(6) 0.269(8) Uani 1 1 d . . .
F36 F 0.7879(8) 0.9307(4) 0.2866(6) 0.187(4) Uani 1 1 d . . .
P4 P 1.2873(3) 0.64914(15) 0.0830(3) 0.1164(15) Uani 1 1 d . . .
F41 F 1.3746(8) 0.6431(5) 0.1605(7) 0.231(6) Uani 1 1 d . . .
F42 F 1.2053(11) 0.6604(3) 0.0053(7) 0.252(8) Uani 1 1 d . . .
F43 F 1.3011(15) 0.6953(4) 0.1027(11) 0.309(9) Uani 1 1 d . . .
F44 F 1.2642(9) 0.6050(4) 0.0641(8) 0.212(5) Uani 1 1 d . . .
F45 F 1.3701(10) 0.6466(5) 0.0451(7) 0.237(7) Uani 1 1 d . . .
F46 F 1.2021(8) 0.6494(4) 0.1253(9) 0.223(6) Uani 1 1 d . . .
C011 C 0.7099(11) 0.9236(7) 1.0150(15) 0.143(7) Uani 1 1 d G . .
H01A H 0.7169 0.9007 1.0495 0.172 Uiso 1 1 calc R . .
C012 C 0.6800(9) 0.9172(5) 0.9344(18) 0.137(7) Uani 1 1 d G . .
H01B H 0.6665 0.8899 0.9138 0.164 Uiso 1 1 calc R . .
C013 C 0.6697(8) 0.9508(10) 0.8840(7) 0.190(13) Uani 1 1 d G . .
H01C H 0.6493 0.9464 0.8289 0.227 Uiso 1 1 calc R . .
C014 C 0.6894(11) 0.9908(7) 0.9141(17) 0.223(17) Uani 1 1 d G . .
H01D H 0.6824 1.0138 0.8797 0.267 Uiso 1 1 calc R . .
C015 C 0.7193(10) 0.9973(5) 0.9948(19) 0.189(13) Uani 1 1 d G . .
H01E H 0.7327 1.0246 1.0154 0.227 Uiso 1 1 calc R . .
C016 C 0.7295(8) 0.9637(10) 1.0452(8) 0.194(11) Uani 1 1 d G . .
H01F H 0.7500 0.9681 1.1003 0.233 Uiso 1 1 calc R . .
C021 C 1.4791(8) 0.6599(9) 0.5061(6) 0.135(7) Uani 1 1 d G . .
H02A H 1.5072 0.6646 0.5612 0.162 Uiso 1 1 calc R . .
C022 C 1.4426(12) 0.6932(4) 0.4554(16) 0.132(7) Uani 1 1 d G . .
H02B H 1.4459 0.7206 0.4757 0.159 Uiso 1 1 calc R . .
C023 C 1.4014(9) 0.6864(7) 0.3749(14) 0.181(11) Uani 1 1 d G . .
H02C H 1.3765 0.7092 0.3402 0.218 Uiso 1 1 calc R . .
C024 C 1.3967(9) 0.6464(10) 0.3452(7) 0.155(10) Uani 1 1 d G . .
H02D H 1.3686 0.6417 0.2902 0.186 Uiso 1 1 calc R . .
C025 C 1.4332(13) 0.6131(5) 0.3960(18) 0.159(9) Uani 1 1 d G . .
H02E H 1.4299 0.5857 0.3756 0.191 Uiso 0.50 1 calc PR . .
C026 C 1.4743(10) 0.6199(6) 0.4764(16) 0.165(9) Uani 1 1 d G . .
H02F H 1.4992 0.5971 0.5111 0.198 Uiso 1 1 calc R . .
C031 C 1.2366(11) 0.5904(4) 0.8677(8) 0.059(6) Uiso 0.50 1 d PG . .
H03A H 1.2812 0.6113 0.8990 0.071 Uiso 0.50 1 calc PR . .
C032 C 1.1280(11) 0.5896(4) 0.8591(9) 0.078(7) Uiso 0.50 1 d PG . .
H03B H 1.0983 0.6099 0.8845 0.094 Uiso 0.50 1 calc PR . .
C033 C 1.0627(9) 0.5590(5) 0.8133(10) 0.095(8) Uiso 0.50 1 d PG . .
H03C H 0.9884 0.5585 0.8074 0.114 Uiso 0.50 1 calc PR . .
C034 C 1.1061(14) 0.5293(5) 0.7761(10) 0.109(9) Uiso 0.50 1 d PG . .
H03D H 1.0615 0.5085 0.7448 0.130 Uiso 0.50 1 calc PR . .
C035 C 1.2147(14) 0.5302(5) 0.7847(10) 0.120(10) Uiso 0.50 1 d PG . .
H03E H 1.2444 0.5099 0.7593 0.144 Uiso 0.50 1 calc PR . .
C036 C 1.2800(10) 0.5607(5) 0.8305(10) 0.117(9) Uiso 0.50 1 d PG . .
H03F H 1.3543 0.5613 0.8364 0.140 Uiso 0.50 1 calc PR . .
C041 C 0.5951(11) 0.6380(5) 0.7305(10) 0.095(8) Uiso 0.50 1 d PG . .
H04A H 0.6587 0.6542 0.7462 0.114 Uiso 0.50 1 calc PR . .
C042 C 0.5055(15) 0.6509(4) 0.7492(9) 0.108(9) Uiso 0.50 1 d PG . .
H04B H 0.5078 0.6759 0.7777 0.129 Uiso 0.50 1 calc PR . .
C043 C 0.4125(12) 0.6271(6) 0.7262(11) 0.132(11) Uiso 0.50 1 d PG . .
H04C H 0.3513 0.6359 0.7390 0.158 Uiso 0.50 1 calc PR . .
C044 C 0.4092(12) 0.5905(5) 0.6845(10) 0.092(7) Uiso 0.50 1 d PG . .
H04D H 0.3456 0.5743 0.6687 0.111 Uiso 0.50 1 calc PR . .
C045 C 0.4988(15) 0.5776(4) 0.6658(10) 0.113(9) Uiso 0.50 1 d PG . .
H04E H 0.4965 0.5526 0.6372 0.136 Uiso 0.50 1 calc PR . .
C046 C 0.5918(12) 0.6014(6) 0.6888(11) 0.154(12) Uiso 0.50 1 d PG . .
H04F H 0.6530 0.5926 0.6760 0.185 Uiso 0.50 1 calc PR . .
C051 C 0.530(2) 0.7712(8) 0.3025(16) 0.047(9) Uiso 0.25 1 d PG . .
H05A H 0.5773 0.7584 0.2790 0.056 Uiso 0.25 1 calc PR . .
C052 C 0.5701(16) 0.7886(9) 0.3769(16) 0.088(14) Uiso 0.25 1 d PG . .
H05B H 0.6448 0.7877 0.4044 0.106 Uiso 0.25 1 calc PR . .
C053 C 0.501(2) 0.8073(9) 0.4112(13) 0.080(14) Uiso 0.25 1 d PG . .
H05C H 0.5284 0.8192 0.4621 0.096 Uiso 0.25 1 calc PR . .
C054 C 0.392(2) 0.8086(8) 0.3710(17) 0.093(15) Uiso 0.25 1 d PG . .
H05D H 0.3444 0.8214 0.3945 0.112 Uiso 0.25 1 calc PR . .
C055 C 0.3515(15) 0.7912(9) 0.2966(17) 0.055(10) Uiso 0.25 1 d PG . .
H05E H 0.2768 0.7921 0.2691 0.066 Uiso 0.25 1 calc PR . .
C056 C 0.421(2) 0.7725(9) 0.2623(13) 0.15(2) Uiso 0.25 1 d PG . .
H05F H 0.3933 0.7606 0.2114 0.178 Uiso 0.25 1 calc PR . .
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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N18 Ag1 N28 148.9(3) . . y
N18 Ag1 N11 71.8(3) . . y
N28 Ag1 N11 135.8(3) . . y
N18 Ag1 N21 131.2(3) . . y
N28 Ag1 N21 71.7(3) . . y
N11 Ag1 N21 90.6(3) . . y
N229 Ag2 N129 146.3(3) . . y
N229 Ag2 N136 136.2(3) . . y
N129 Ag2 N136 72.9(4) . . y
N229 Ag2 N236 72.3(4) . . y
N129 Ag2 N236 132.8(4) . . y
N136 Ag2 N236 91.8(4) . . y
N329 Ag3 N429 146.7(3) . . y
N329 Ag3 N436 136.0(3) . . y
N429 Ag3 N436 71.3(3) . . y
N329 Ag3 N336 72.6(3) . . y
N429 Ag3 N336 132.9(3) . . y
N436 Ag3 N336 93.6(3) . . y
N38 Ag4 N48 149.5(3) . . y
N38 Ag4 N41 132.8(4) . . y
N48 Ag4 N41 72.4(4) . . y
N38 Ag4 N31 73.1(3) . . y
N48 Ag4 N31 129.3(3) . . y
N41 Ag4 N31 93.3(3) . . y
C16 N11 C12 118.1(10) . . -
C16 N11 Ag1 111.9(7) . . y
C12 N11 Ag1 129.9(8) . . y
N11 C12 C13 120.0(13) . . -
C14 C13 C12 119.6(15) . . -
C13 C14 C15 120.4(15) . . -
C14 C15 C16 121.2(13) . . -
N11 C16 C15 120.5(12) . . -
N11 C16 C17 118.2(9) . . -
C15 C16 C17 121.2(11) . . -
N18 C17 C16 122.1(10) . . -
C17 N18 C19 118.4(9) . . -
C17 N18 Ag1 115.8(7) . . y
C19 N18 Ag1 125.7(6) . . y
N18 C19 C110 121.3(10) . . -
N18 C19 C118 117.8(9) . . -
C110 C19 C118 120.7(10) . . -
C22 N21 C26 118.5(9) . . -
C22 N21 Ag1 129.3(7) . . y
C26 N21 Ag1 111.7(7) . . y
N21 C22 C23 124.7(11) . . -
C24 C23 C22 117.6(13) . . -
C23 C24 C25 120.0(11) . . -
C26 C25 C24 117.8(11) . . -
N21 C26 C25 121.0(11) . . -
N21 C26 C27 116.7(9) . . -
C25 C26 C27 122.3(10) . . -
N28 C27 C26 124.7(10) . . -
C27 N28 C29 121.8(8) . . -
C27 N28 Ag1 115.0(7) . . y
C29 N28 Ag1 123.1(6) . . y
C218 C29 N28 120.8(9) . . -
C218 C29 C210 120.4(10) . . -
N28 C29 C210 118.8(9) . . -
C111 C110 C19 120.1(11) . . -
C110 C111 C112 121.7(12) . . -
C117 C112 C111 117.1(13) . . -
C117 C112 C113 118.8(16) . . -
C111 C112 C113 124.0(16) . . -
C114 C113 C112 119.8(18) . . -
C113 C114 C115 119(2) . . -
C116 C115 C114 123.9(19) . . -
C115 C116 C117 121.9(15) . . -
C112 C117 C116 116.2(14) . . -
C112 C117 C118 122.1(13) . . -
C116 C117 C118 121.5(14) . . -
C19 C118 C117 118.2(11) . . -
C19 C118 C119 120.2(10) . . -
C117 C118 C119 121.7(11) . . -
C128 C119 C120 118.1(10) . . -
C128 C119 C118 123.3(10) . . -
C120 C119 C118 118.3(10) . . -
C121 C120 C125 117.7(12) . . -
C121 C120 C119 124.4(12) . . -
C125 C120 C119 117.9(11) . . -
C120 C121 C122 122.1(13) . . -
C123 C122 C121 121.4(15) . . -
C122 C123 C124 120.4(16) . . -
C123 C124 C125 119.6(14) . . -
C126 C125 C120 120.1(12) . . -
C126 C125 C124 121.4(13) . . -
C120 C125 C124 118.5(13) . . -
C127 C126 C125 120.2(11) . . -
C126 C127 C128 121.2(11) . . -
C119 C128 C127 122.4(11) . . -
C119 C128 N129 117.1(10) . . -
C127 C128 N129 120.5(10) . . -
C130 N129 C128 120.8(9) . . -
C130 N129 Ag2 113.6(8) . . y
C128 N129 Ag2 125.4(7) . . y
N129 C130 C131 124.9(10) . . -
N136 C131 C132 121.6(12) . . -
N136 C131 C130 117.2(10) . . -
C132 C131 C130 121.1(11) . . -
C131 C132 C133 122.4(13) . . -
C134 C133 C132 112.1(15) . . -
C133 C134 C135 125.5(17) . . -
C134 C135 N136 121.3(14) . . -
C131 N136 C135 116.9(11) . . -
C131 N136 Ag2 111.2(8) . . y
C135 N136 Ag2 131.7(10) . . y
C211 C210 C29 122.0(10) . . -
C210 C211 C212 119.4(11) . . -
C213 C212 C211 119.4(12) . . -
C213 C212 C217 119.7(11) . . -
C211 C212 C217 120.6(10) . . -
C214 C213 C212 117.1(13) . . -
C215 C214 C213 123.2(13) . . -
C214 C215 C216 121.3(13) . . -
C215 C216 C217 118.2(12) . . -
C216 C217 C218 121.8(11) . . -
C216 C217 C212 120.2(10) . . -
C218 C217 C212 118.0(10) . . -
C29 C218 C217 119.5(9) . . -
C29 C218 C219 119.7(9) . . -
C217 C218 C219 120.4(9) . . -
C228 C219 C220 117.1(9) . . -
C228 C219 C218 119.9(9) . . -
C220 C219 C218 123.0(9) . . -
C225 C220 C221 116.7(11) . . -
C225 C220 C219 121.0(10) . . -
C221 C220 C219 122.2(10) . . -
C222 C221 C220 121.1(11) . . -
C223 C222 C221 123.4(12) . . -
C222 C223 C224 118.3(13) . . -
C225 C224 C223 120.4(12) . . -
C220 C225 C224 120.0(11) . . -
C220 C225 C226 117.4(11) . . -
C224 C225 C226 122.4(12) . . -
C227 C226 C225 122.4(11) . . -
C226 C227 C228 119.2(10) . . -
C227 C228 N229 119.4(10) . . -
C227 C228 C219 122.8(10) . . -
N229 C228 C219 117.7(9) . . -
C230 N229 C228 119.7(10) . . -
C230 N229 Ag2 115.3(9) . . y
C228 N229 Ag2 124.8(7) . . y
N229 C230 C231 123.0(12) . . -
C232 C231 N236 121.4(14) . . -
C232 C231 C230 120.0(15) . . -
N236 C231 C230 117.9(12) . . -
C233 C232 C231 117.4(16) . . -
C234 C233 C232 126.9(18) . . -
C233 C234 C235 109.9(18) . . -
C234 C235 N236 130.0(17) . . -
C235 N236 C231 114.3(12) . . -
C235 N236 Ag2 133.7(11) . . y
C231 N236 Ag2 111.4(9) . . y
C36 N31 C32 120.9(11) . . -
C36 N31 Ag4 109.6(8) . . y
C32 N31 Ag4 128.9(8) . . y
N31 C32 C33 121.2(13) . . -
C34 C33 C32 117.8(14) . . -
C33 C34 C35 124.0(13) . . -
C34 C35 C36 114.2(13) . . -
N31 C36 C35 121.9(13) . . -
N31 C36 C37 118.6(11) . . -
C35 C36 C37 119.5(13) . . -
N38 C37 C36 122.8(11) . . -
C37 N38 C39 120.7(10) . . -
C37 N38 Ag4 115.7(8) . . y
C39 N38 Ag4 123.5(6) . . y
C318 C39 N38 121.3(9) . . -
C318 C39 C310 119.1(10) . . -
N38 C39 C310 119.3(9) . . -
C46 N41 C42 124.1(13) . . -
C46 N41 Ag4 111.5(8) . . y
C42 N41 Ag4 124.3(11) . . y
C43 C42 N41 119.5(17) . . -
C44 C43 C42 124(2) . . -
C43 C44 C45 123.0(19) . . -
C46 C45 C44 113.8(16) . . -
N41 C46 C47 118.2(11) . . -
N41 C46 C45 115.7(16) . . -
C47 C46 C45 126.0(16) . . -
N48 C47 C46 122.1(12) . . -
C47 N48 C409 118.7(9) . . -
C47 N48 Ag4 115.5(8) . . y
C409 N48 Ag4 125.7(6) . . y
C311 C310 C39 121.7(10) . . -
C310 C311 C312 120.1(10) . . -
C311 C312 C317 118.6(11) . . -
C311 C312 C313 121.5(10) . . -
C317 C312 C313 119.9(10) . . -
C314 C313 C312 119.2(11) . . -
C313 C314 C315 123.3(12) . . -
C314 C315 C316 120.3(10) . . -
C315 C316 C317 120.9(10) . . -
C318 C317 C312 119.5(9) . . -
C318 C317 C316 124.1(9) . . -
C312 C317 C316 116.4(10) . . -
C39 C318 C317 120.9(9) . . -
C39 C318 C319 120.3(9) . . -
C317 C318 C319 118.5(8) . . -
C328 C319 C320 121.2(10) . . -
C328 C319 C318 122.0(8) . . -
C320 C319 C318 116.2(10) . . -
C321 C320 C319 124.8(11) . . -
C321 C320 C325 118.3(12) . . -
C319 C320 C325 116.9(12) . . -
C322 C321 C320 119.8(15) . . -
C321 C322 C323 118.7(16) . . -
C324 C323 C322 124.9(15) . . -
C323 C324 C325 117.3(16) . . -
C324 C325 C326 122.5(15) . . -
C324 C325 C320 120.1(15) . . -
C326 C325 C320 117.3(11) . . -
C327 C326 C325 123.2(11) . . -
C326 C327 C328 121.0(12) . . -
C327 C328 C319 120.1(11) . . -
C327 C328 N329 121.9(11) . . -
C319 C328 N329 118.1(8) . . -
C330 N329 C328 118.6(9) . . -
C330 N329 Ag3 114.9(7) . . y
C328 N329 Ag3 126.6(6) . . y
N329 C330 C331 124.5(9) . . -
N336 C331 C332 118.5(11) . . -
N336 C331 C330 116.8(9) . . -
C332 C331 C330 124.6(11) . . -
C333 C332 C331 123.8(12) . . -
C334 C333 C332 115.9(13) . . -
C333 C334 C335 121.4(12) . . -
N336 C335 C334 121.5(11) . . -
C335 N336 C331 119.0(9) . . -
C335 N336 Ag3 129.7(7) . . y
C331 N336 Ag3 110.6(7) . . y
C410 C409 C418 124.1(11) . . -
C410 C409 N48 119.5(10) . . -
C418 C409 N48 116.2(9) . . -
C411 C410 C409 120.8(11) . . -
C410 C411 C412 121.5(10) . . -
C417 C412 C413 121.0(10) . . -
C417 C412 C411 118.1(10) . . -
C413 C412 C411 120.8(11) . . -
C414 C413 C412 118.7(11) . . -
C413 C414 C415 120.9(12) . . -
C416 C415 C414 121.4(12) . . -
C415 C416 C417 121.8(11) . . -
C416 C417 C412 116.2(10) . . -
C416 C417 C418 124.6(9) . . -
C412 C417 C418 119.2(9) . . -
C409 C418 C419 123.6(10) . . -
C409 C418 C417 116.0(9) . . -
C419 C418 C417 119.6(9) . . -
C428 C419 C420 119.9(10) . . -
C428 C419 C418 117.8(10) . . -
C420 C419 C418 122.1(10) . . -
C425 C420 C419 121.1(12) . . -
C425 C420 C421 117.9(12) . . -
C419 C420 C421 120.9(11) . . -
C422 C421 C420 123.9(15) . . -
C421 C422 C423 118.0(19) . . -
C422 C423 C424 121.2(17) . . -
C425 C424 C423 117.4(15) . . -
C420 C425 C424 121.1(14) . . -
C420 C425 C426 120.4(12) . . -
C424 C425 C426 118.6(14) . . -
C427 C426 C425 120.3(11) . . -
C426 C427 C428 118.6(11) . . -
C419 C428 N429 121.5(9) . . -
C419 C428 C427 119.5(10) . . -
N429 C428 C427 118.7(10) . . -
C430 N429 C428 119.2(8) . . -
C430 N429 Ag3 116.5(7) . . y
C428 N429 Ag3 124.3(6) . . y
N429 C430 C431 122.5(9) . . -
N436 C431 C430 117.8(9) . . -
N436 C431 C432 118.2(10) . . -
C430 C431 C432 124.0(10) . . -
C433 C432 C431 119.0(11) . . -
C432 C433 C434 121.9(12) . . -
C433 C434 C435 116.5(13) . . -
N436 C435 C434 124.4(12) . . -
C435 N436 C431 119.7(9) . . -
C435 N436 Ag3 128.3(7) . . y
C431 N436 Ag3 111.8(7) . . y
F12 P1 F11 174.6(11) . . -
F12 P1 F14 83.4(9) . . -
F11 P1 F14 94.1(10) . . -
F12 P1 F13 94.8(9) . . -
F11 P1 F13 87.6(9) . . -
F14 P1 F13 177.5(9) . . -
F12 P1 F15 89.7(9) . . -
F11 P1 F15 95.2(10) . . -
F14 P1 F15 90.7(5) . . -
F13 P1 F15 90.9(6) . . -
F12 P1 F16 88.0(8) . . -
F11 P1 F16 87.2(8) . . -
F14 P1 F16 90.0(6) . . -
F13 P1 F16 88.2(6) . . -
F15 P1 F16 177.5(9) . . -
F26 P2 F21 93.0(7) . . -
F26 P2 F23 98.5(11) . . -
F21 P2 F23 93.0(7) . . -
F26 P2 F24 85.5(10) . . -
F21 P2 F24 90.4(8) . . -
F23 P2 F24 174.7(10) . . -
F26 P2 F25 174.9(12) . . -
F21 P2 F25 86.1(9) . . -
F23 P2 F25 86.6(9) . . -
F24 P2 F25 89.5(11) . . -
F26 P2 F22 89.2(8) . . -
F21 P2 F22 177.1(9) . . -
F23 P2 F22 88.6(6) . . -
F24 P2 F22 87.9(7) . . -
F25 P2 F22 91.6(9) . . -
F32 P3 F35 92.4(10) . . -
F32 P3 F33 92.6(8) . . -
F35 P3 F33 90.1(7) . . -
F32 P3 F34 86.4(7) . . -
F35 P3 F34 91.8(7) . . -
F33 P3 F34 177.9(7) . . -
F32 P3 F31 172.2(8) . . -
F35 P3 F31 94.6(9) . . -
F33 P3 F31 90.7(7) . . -
F34 P3 F31 90.1(7) . . -
F32 P3 F36 87.7(8) . . -
F35 P3 F36 177.5(8) . . -
F33 P3 F36 92.4(6) . . -
F34 P3 F36 85.7(6) . . -
F31 P3 F36 85.1(7) . . -
F45 P4 F44 88.2(9) . . -
F45 P4 F41 87.7(7) . . -
F44 P4 F41 97.5(8) . . -
F45 P4 F42 90.2(9) . . -
F44 P4 F42 89.0(7) . . -
F41 P4 F42 173.1(9) . . -
F45 P4 F46 176.7(9) . . -
F44 P4 F46 89.4(7) . . -
F41 P4 F46 90.4(8) . . -
F42 P4 F46 92.0(8) . . -
F45 P4 F43 96.5(10) . . -
F44 P4 F43 174.9(10) . . -
F41 P4 F43 84.9(8) . . -
F42 P4 F43 88.8(8) . . -
F46 P4 F43 86.1(10) . . -
C012 C011 C016 120.0 . . -
C011 C012 C013 120.0 . . -
C014 C013 C012 120.0 . . -
C013 C014 C015 120.0 . . -
C014 C015 C016 120.0 . . -
C015 C016 C011 120.0 . . -
C022 C021 C026 120.0 . . -
C021 C022 C023 120.0 . . -
C022 C023 C024 120.0 . . -
C023 C024 C025 120.0 . . -
C024 C025 C026 120.0 . . -
C025 C026 C021 120.0 . . -
C032 C031 C036 120.0 . . -
C031 C032 C033 120.0 . . -
C034 C033 C032 120.0 . . -
C035 C034 C033 120.0 . . -
C034 C035 C036 120.0 . . -
C035 C036 C031 120.0 . . -
C042 C041 C046 120.0 . . -
C041 C042 C043 120.0 . . -
C042 C043 C044 120.0 . . -
C045 C044 C043 120.0 . . -
C046 C045 C044 120.0 . . -
C045 C046 C041 120.0 . . -
C052 C051 C056 120.0 . . -
C053 C052 C051 120.0 . . -
C052 C053 C054 120.0 . . -
C055 C054 C053 120.0 . . -
C056 C055 C054 120.0 . . -
C055 C056 C051 120.0 . . -
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 N18 2.317(8) . y
Ag1 N28 2.319(7) . y
Ag1 N11 2.429(9) . y
Ag1 N21 2.433(8) . y
Ag2 N229 2.311(9) . y
Ag2 N129 2.318(8) . y
Ag2 N136 2.403(9) . y
Ag2 N236 2.452(10) . y
Ag3 N329 2.282(8) . y
Ag3 N429 2.283(8) . y
Ag3 N436 2.378(8) . y
Ag3 N336 2.423(8) . y
Ag4 N38 2.280(8) . y
Ag4 N48 2.312(8) . y
Ag4 N41 2.374(10) . y
Ag4 N31 2.419(9) . y
N11 C16 1.351(11) . -
N11 C12 1.381(14) . -
C12 C13 1.413(17) . -
C13 C14 1.309(18) . -
C14 C15 1.353(17) . -
C15 C16 1.367(14) . -
C16 C17 1.454(14) . -
C17 N18 1.292(11) . -
N18 C19 1.380(11) . -
C19 C110 1.395(13) . -
C19 C118 1.408(14) . -
N21 C22 1.309(13) . -
N21 C26 1.357(12) . -
C22 C23 1.388(16) . -
C23 C24 1.317(16) . -
C24 C25 1.450(17) . -
C25 C26 1.364(13) . -
C26 C27 1.453(13) . -
C27 N28 1.254(11) . -
N28 C29 1.401(11) . -
C29 C218 1.396(13) . -
C29 C210 1.428(13) . -
C110 C111 1.391(15) . -
C111 C112 1.428(17) . -
C112 C117 1.400(17) . -
C112 C113 1.51(2) . -
C113 C114 1.32(2) . -
C114 C115 1.39(2) . -
C115 C116 1.308(19) . -
C116 C117 1.432(18) . -
C117 C118 1.430(16) . -
C118 C119 1.487(14) . -
C119 C128 1.363(13) . -
C119 C120 1.473(14) . -
C120 C121 1.376(14) . -
C120 C125 1.424(15) . -
C121 C122 1.390(16) . -
C122 C123 1.334(17) . -
C123 C124 1.385(17) . -
C124 C125 1.452(16) . -
C125 C126 1.396(15) . -
C126 C127 1.365(14) . -
C127 C128 1.376(13) . -
C128 N129 1.405(12) . -
N129 C130 1.227(12) . -
C130 C131 1.486(14) . -
C131 N136 1.334(12) . -
C131 C132 1.355(14) . -
C132 C133 1.465(18) . -
C133 C134 1.331(19) . -
C134 C135 1.341(18) . -
C135 N136 1.390(15) . -
C210 C211 1.360(13) . -
C211 C212 1.414(14) . -
C212 C213 1.392(15) . -
C212 C217 1.461(14) . -
C213 C214 1.381(18) . -
C214 C215 1.381(18) . -
C215 C216 1.371(16) . -
C216 C217 1.389(14) . -
C217 C218 1.438(13) . -
C218 C219 1.499(13) . -
C219 C228 1.419(13) . -
C219 C220 1.424(13) . -
C220 C225 1.412(13) . -
C220 C221 1.419(13) . -
C221 C222 1.363(14) . -
C222 C223 1.333(15) . -
C223 C224 1.413(17) . -
C224 C225 1.409(15) . -
C225 C226 1.432(15) . -
C226 C227 1.362(15) . -
C227 C228 1.371(13) . -
C228 N229 1.406(12) . -
N229 C230 1.303(12) . -
C230 C231 1.464(17) . -
C231 C232 1.370(16) . -
C231 N236 1.357(15) . -
C232 C233 1.343(19) . -
C233 C234 1.35(2) . -
C234 C235 1.357(19) . -
C235 N236 1.352(15) . -
N31 C36 1.353(14) . -
N31 C32 1.363(13) . -
C32 C33 1.395(17) . -
C33 C34 1.369(17) . -
C34 C35 1.420(18) . -
C35 C36 1.437(15) . -
C36 C37 1.471(16) . -
C37 N38 1.248(12) . -
N38 C39 1.435(12) . -
C39 C318 1.359(12) . -
C39 C310 1.440(13) . -
N41 C46 1.356(16) . -
N41 C42 1.390(15) . -
C42 C43 1.31(2) . -
C43 C44 1.20(3) . -
C44 C45 1.53(3) . -
C45 C46 1.456(18) . -
C46 C47 1.464(18) . -
C47 N48 1.239(12) . -
N48 C409 1.431(12) . -
C310 C311 1.343(13) . -
C311 C312 1.403(13) . -
C312 C317 1.452(12) . -
C312 C313 1.466(14) . -
C313 C314 1.338(14) . -
C314 C315 1.391(15) . -
C315 C316 1.394(13) . -
C316 C317 1.456(13) . -
C317 C318 1.392(12) . -
C318 C319 1.538(13) . -
C319 C328 1.399(13) . -
C319 C320 1.461(14) . -
C320 C321 1.427(17) . -
C320 C325 1.492(16) . -
C321 C322 1.352(16) . -
C322 C323 1.42(2) . -
C323 C324 1.36(2) . -
C324 C325 1.363(18) . -
C325 C326 1.410(17) . -
C326 C327 1.379(16) . -
C327 C328 1.388(13) . -
C328 N329 1.421(13) . -
N329 C330 1.277(11) . -
C330 C331 1.436(14) . -
C331 N336 1.373(11) . -
C331 C332 1.419(14) . -
C332 C333 1.373(16) . -
C333 C334 1.348(16) . -
C334 C335 1.442(16) . -
C335 N336 1.333(12) . -
C409 C410 1.381(14) . -
C409 C418 1.393(13) . -
C410 C411 1.311(14) . -
C411 C412 1.457(14) . -
C412 C417 1.429(13) . -
C412 C413 1.463(14) . -
C413 C414 1.335(14) . -
C414 C415 1.392(15) . -
C415 C416 1.380(14) . -
C416 C417 1.392(13) . -
C417 C418 1.473(14) . -
C418 C419 1.449(13) . -
C419 C428 1.396(13) . -
C419 C420 1.411(14) . -
C420 C425 1.372(15) . -
C420 C421 1.421(15) . -
C421 C422 1.312(18) . -
C422 C423 1.41(2) . -
C423 C424 1.41(2) . -
C424 C425 1.413(16) . -
C425 C426 1.413(15) . -
C426 C427 1.408(14) . -
C427 C428 1.454(13) . -
C428 N429 1.432(12) . -
N429 C430 1.263(11) . -
C430 C431 1.397(13) . -
C431 N436 1.369(11) . -
C431 C432 1.447(14) . -
C432 C433 1.346(15) . -
C433 C434 1.366(16) . -
C434 C435 1.389(16) . -
C435 N436 1.310(13) . -
P1 F12 1.504(17) . -
P1 F11 1.471(13) . -
P1 F14 1.490(9) . -
P1 F13 1.530(10) . -
P1 F15 1.561(10) . -
P1 F16 1.552(9) . -
P2 F26 1.501(12) . -
P2 F21 1.513(9) . -
P2 F23 1.519(12) . -
P2 F24 1.524(14) . -
P2 F25 1.521(13) . -
P2 F22 1.533(8) . -
P3 F32 1.478(12) . -
P3 F35 1.498(10) . -
P3 F33 1.523(9) . -
P3 F34 1.552(10) . -
P3 F31 1.567(12) . -
P3 F36 1.553(10) . -
P4 F45 1.461(12) . -
P4 F44 1.470(11) . -
P4 F41 1.508(11) . -
P4 F42 1.511(10) . -
P4 F46 1.544(12) . -
P4 F43 1.526(14) . -
C011 C012 1.3900 . -
C011 C016 1.3900 . -
C012 C013 1.3900 . -
C013 C014 1.3900 . -
C014 C015 1.3900 . -
C015 C016 1.3900 . -
C021 C022 1.3900 . -
C021 C026 1.3900 . -
C022 C023 1.3900 . -
C023 C024 1.3900 . -
C024 C025 1.3900 . -
C025 C026 1.3900 . -
C031 C032 1.3900 . -
C031 C036 1.3900 . -
C032 C033 1.3900 . -
C033 C034 1.3900 . -
C034 C035 1.3900 . -
C035 C036 1.3900 . -
C041 C042 1.3900 . -
C041 C046 1.3900 . -
C042 C043 1.3900 . -
C043 C044 1.3900 . -
C044 C045 1.3900 . -
C045 C046 1.3900 . -
C051 C052 1.3900 . -
C051 C056 1.3900 . -
C052 C053 1.3900 . -
C053 C054 1.3900 . -
C054 C055 1.3900 . -
C055 C056 1.3900 . -
