#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/60/7106059.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_7106059
loop_
_publ_author_name
'Nasser Nasser'
'Richard J. Puddephatt'
_publ_section_title
;
 Self-assembled polymers of silver(I) with a chiral diphosphine ligand
;
_journal_name_full               Chem.Commun.
_journal_page_first              2808
_journal_paper_doi               10.1039/c0cc05411a
_journal_volume                  47
_journal_year                    2011
_chemical_absolute_configuration unk
_chemical_formula_sum            'C46.5 H49.5 Ag2 B2 F8 N2 O5 P2'
_chemical_formula_weight         1167.68
_chemical_name_systematic
;
?
;
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   20.2501(7)
_cell_length_b                   20.7455(8)
_cell_length_c                   23.6214(9)
_cell_measurement_reflns_used    9475
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      24.60
_cell_measurement_theta_min      2.19
_cell_volume                     9923.3(6)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_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  0.0417
_diffrn_reflns_av_sigmaI/netI    0.0353
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            143587
_diffrn_reflns_theta_full        27.88
_diffrn_reflns_theta_max         27.88
_diffrn_reflns_theta_min         1.31
_exptl_absorpt_coefficient_mu    0.930
_exptl_absorpt_correction_T_max  0.9235
_exptl_absorpt_correction_T_min  0.8762
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.563
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             4708
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.09
_refine_diff_density_max         3.142
_refine_diff_density_min         -1.747
_refine_diff_density_rms         0.098
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.031(19)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.039
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1231
_refine_ls_number_reflns         23664
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.039
_refine_ls_R_factor_all          0.0694
_refine_ls_R_factor_gt           0.0516
_refine_ls_shift/su_max          3.040
_refine_ls_shift/su_mean         0.037
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0629P)²+19.6359P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1236
_refine_ls_wR_factor_ref         0.1343
_reflns_number_gt                19350
_reflns_number_total             23664
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            C0CC05411A.TXT
_cod_data_source_block           b10017_0m
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Orthorhombic' changed to
'orthorhombic' according to the built-in table from CIF Core
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_formula_sum        'C46.50 H49.50 Ag2 B2 F8 N2 O5 P2'
_cod_database_code               7106059
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'x+1/2, -y+1/2, -z'
'-x, y+1/2, -z+1/2'
'-x+1/2, -y, 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 0.74369(2) 0.94302(3) 0.893426(18) 0.04567(12) Uani 1 1 d . . .
Ag2 Ag 0.33002(2) 0.93577(2) 0.79044(2) 0.04963(13) Uani 1 1 d . . .
Ag3 Ag 0.26230(2) 0.95256(3) 0.91125(2) 0.05043(13) Uani 1 1 d . . .
Ag4 Ag 0.85112(2) 0.90125(2) 0.818130(18) 0.03927(10) Uani 1 1 d . . .
P1 P 0.26291(7) 0.85294(7) 0.75275(6) 0.0344(3) Uani 1 1 d . . .
P2 P 0.33957(6) 0.93500(7) 0.98389(6) 0.0346(3) Uani 1 1 d . . .
P3 P 0.79245(6) 0.93946(6) 0.73804(5) 0.0280(2) Uani 1 1 d . . .
P4 P 0.80987(6) 1.02272(7) 0.93497(6) 0.0312(3) Uani 1 1 d . . .
B1 B 0.4580(4) 0.9969(4) 0.7191(4) 0.055(2) Uani 1 1 d . . .
B2 B 0.9734(4) 0.7675(4) 0.8011(4) 0.061(2) Uani 1 1 d . . .
B3 B 0.6394(3) 0.8579(4) 0.9692(3) 0.0425(15) Uani 1 1 d . . .
B4 B 0.5391(9) 0.7638(9) 0.5055(8) 0.142(8) Uani 1 1 d . . .
F1 F 0.5027(2) 0.94950(19) 0.69909(18) 0.0626(10) Uani 1 1 d . . .
F2 F 0.4518(2) 0.9828(3) 0.7767(2) 0.0890(16) Uani 1 1 d . . .
F3 F 0.3993(3) 0.9908(3) 0.6934(3) 0.123(3) Uani 1 1 d . . .
F4 F 0.48423(18) 1.05688(18) 0.71238(19) 0.0604(10) Uani 1 1 d . . .
F5 F 0.9319(3) 0.7195(3) 0.8171(3) 0.112(2) Uani 1 1 d . . .
F6 F 0.9401(3) 0.8182(3) 0.7779(3) 0.113(2) Uani 1 1 d . . .
F7 F 1.0084(3) 0.7904(3) 0.8465(2) 0.0906(17) Uani 1 1 d . . .
F8 F 1.0195(3) 0.7451(3) 0.7632(2) 0.0994(19) Uani 1 1 d . . .
F9 F 0.6157(2) 0.80785(19) 0.93583(17) 0.0604(11) Uani 1 1 d . . .
F10 F 0.62368(19) 0.91635(18) 0.94326(18) 0.0569(10) Uani 1 1 d . . .
F11 F 0.70750(19) 0.8543(2) 0.9719(2) 0.0743(14) Uani 1 1 d . . .
F12 F 0.6113(3) 0.8549(3) 1.02156(19) 0.0942(18) Uani 1 1 d . . .
F13 F 0.4807(3) 0.7319(3) 0.5014(3) 0.0967(18) Uani 1 1 d . . .
F14 F 0.5416(5) 0.8038(5) 0.5462(4) 0.176(4) Uani 1 1 d . . .
F15 F 0.5361(6) 0.8118(6) 0.4581(5) 0.208(5) Uani 1 1 d . . .
F16 F 0.5891(5) 0.7300(5) 0.4886(9) 0.298(11) Uani 1 1 d . . .
N1 N 0.1010(2) 0.8901(2) 0.8603(2) 0.0368(10) Uani 1 1 d . . .
H1 H 0.0653 0.8719 0.8462 0.044 Uiso 1 1 calc R . .
N2 N 0.59299(19) 0.89235(19) 0.78125(17) 0.0269(8) Uani 1 1 d . . .
H2 H 0.5676 0.9130 0.7570 0.032 Uiso 1 1 calc R . .
N3 N 0.5027(2) 0.8907(2) 0.87390(18) 0.0306(9) Uani 1 1 d . . .
H3 H 0.5407 0.9017 0.8891 0.037 Uiso 1 1 calc R . .
N4 N 1.01021(19) 0.9639(2) 0.9270(2) 0.0318(10) Uani 1 1 d . . .
H4 H 1.0324 1.0001 0.9315 0.038 Uiso 1 1 calc R . .
O1 O 0.69015(17) 0.88958(17) 0.82744(16) 0.0335(8) Uani 1 1 d . . .
O2 O 0.91646(17) 0.91872(16) 0.89374(16) 0.0331(8) Uani 1 1 d . . .
O3 O 0.39288(18) 0.90543(19) 0.87161(17) 0.0385(9) Uani 1 1 d . . .
O4 O 0.19548(18) 0.9424(2) 0.83820(16) 0.0439(9) Uani 1 1 d . . .
O5 O 0.3157(4) 1.0386(3) 0.8262(4) 0.114(3) Uani 1 1 d . . .
O6 O 0.2241(9) 1.0679(4) 0.9189(6) 0.265(10) Uani 1 1 d . . .
O7 O 0.8200(3) 0.8019(4) 0.8617(3) 0.099(3) Uani 1 1 d . . .
O8 O 0.0837(6) 0.0793(6) 0.9547(5) 0.171(5) Uani 1 1 d . . .
H5 H 0.1183 0.0611 0.9433 0.256 Uiso 1 1 calc R . .
O9 O 0.1418(5) 0.1238(8) 0.8348(13) 0.350(16) Uani 1 1 d . . .
H6 H 0.1571 0.0983 0.8591 0.525 Uiso 1 1 calc R . .
O10 O 0.9266(7) 0.7364(9) 0.6212(7) 0.243(10) Uani 1 1 d . . .
C1 C 0.5691(2) 0.8302(2) 0.8041(2) 0.0299(10) Uani 1 1 d . . .
H7 H 0.6010 0.8151 0.8335 0.036 Uiso 1 1 calc R . .
C2 C 0.5015(2) 0.8385(2) 0.8319(2) 0.0249(9) Uani 1 1 d . . .
H8 H 0.4689 0.8503 0.8017 0.030 Uiso 1 1 calc R . .
C3 C 0.4799(3) 0.7745(2) 0.8581(2) 0.0328(11) Uani 1 1 d . . .
H40 H 0.5123 0.7609 0.8871 0.039 Uiso 1 1 calc R . .
H41 H 0.4365 0.7797 0.8767 0.039 Uiso 1 1 calc R . .
C4 C 0.4753(3) 0.7234(3) 0.8120(3) 0.0504(16) Uani 1 1 d . . .
H42 H 0.4620 0.6818 0.8292 0.060 Uiso 1 1 calc R . .
H43 H 0.4409 0.7360 0.7844 0.060 Uiso 1 1 calc R . .
C5 C 0.5399(4) 0.7150(3) 0.7819(4) 0.064(2) Uani 1 1 d . . .
H44 H 0.5343 0.6836 0.7507 0.077 Uiso 1 1 calc R . .
H45 H 0.5730 0.6974 0.8086 0.077 Uiso 1 1 calc R . .
C6 C 0.5655(3) 0.7795(3) 0.7575(3) 0.0518(17) Uani 1 1 d . . .
H46 H 0.6098 0.7730 0.7409 0.062 Uiso 1 1 calc R . .
H47 H 0.5355 0.7944 0.7272 0.062 Uiso 1 1 calc R . .
C7 C 0.6502(2) 0.9187(2) 0.7951(2) 0.0264(9) Uani 1 1 d . . .
C8 C 0.6652(2) 0.9839(2) 0.77378(19) 0.0237(9) Uani 1 1 d . . .
C9 C 0.6174(2) 1.0318(2) 0.7788(2) 0.0300(10) Uani 1 1 d . . .
H48 H 0.5750 1.0210 0.7931 0.036 Uiso 1 1 calc R . .
C10 C 0.6303(3) 1.0952(3) 0.7633(2) 0.0361(11) Uani 1 1 d . . .
H49 H 0.5974 1.1274 0.7679 0.043 Uiso 1 1 calc R . .
C11 C 0.6908(3) 1.1109(3) 0.7412(2) 0.0365(12) Uani 1 1 d . . .
H50 H 0.7002 1.1542 0.7309 0.044 Uiso 1 1 calc R . .
C12 C 0.7379(3) 1.0637(2) 0.7340(2) 0.0328(10) Uani 1 1 d . . .
H51 H 0.7790 1.0752 0.7174 0.039 Uiso 1 1 calc R . .
C13 C 0.7279(2) 1.0004(2) 0.7500(2) 0.0244(9) Uani 1 1 d . . .
C14 C 0.7508(3) 0.8759(2) 0.6982(2) 0.0328(11) Uani 1 1 d . . .
C15 C 0.6976(3) 0.8892(3) 0.6620(2) 0.0342(11) Uani 1 1 d . . .
H61 H 0.6823 0.9322 0.6578 0.041 Uiso 1 1 calc R . .
C16 C 0.6678(3) 0.8402(3) 0.6328(2) 0.0410(13) Uani 1 1 d . . .
H60 H 0.6315 0.8493 0.6086 0.049 Uiso 1 1 calc R . .
C17 C 0.6905(3) 0.7770(3) 0.6384(3) 0.0482(15) Uani 1 1 d . . .
H59 H 0.6700 0.7429 0.6180 0.058 Uiso 1 1 calc R . .
C18 C 0.7425(4) 0.7648(3) 0.6736(3) 0.0503(15) Uani 1 1 d . . .
H58 H 0.7578 0.7218 0.6779 0.060 Uiso 1 1 calc R . .
C19 C 0.7733(3) 0.8138(3) 0.7033(3) 0.0406(13) Uani 1 1 d . . .
H57 H 0.8099 0.8045 0.7270 0.049 Uiso 1 1 calc R . .
C20 C 0.8476(2) 0.9791(3) 0.6880(2) 0.0356(11) Uani 1 1 d . . .
C21 C 0.8367(4) 0.9808(3) 0.6308(3) 0.0569(18) Uani 1 1 d . . .
H56 H 0.8004 0.9581 0.6149 0.068 Uiso 1 1 calc R . .
C22 C 0.8791(5) 1.0161(4) 0.5956(3) 0.077(3) Uani 1 1 d . . .
H55 H 0.8706 1.0189 0.5562 0.092 Uiso 1 1 calc R . .
C23 C 0.9333(4) 1.0469(4) 0.6186(3) 0.063(2) Uani 1 1 d . . .
H54 H 0.9633 1.0691 0.5946 0.075 Uiso 1 1 calc R . .
C24 C 0.9441(3) 1.0457(4) 0.6752(4) 0.067(2) Uani 1 1 d . . .
H53 H 0.9802 1.0688 0.6909 0.080 Uiso 1 1 calc R . .
C25 C 0.9027(3) 1.0111(4) 0.7097(3) 0.0528(16) Uani 1 1 d . . .
H52 H 0.9118 1.0089 0.7491 0.063 Uiso 1 1 calc R . .
C32 C 0.7629(3) 1.0915(3) 0.9617(2) 0.0427(13) Uani 1 1 d . . .
C33 C 0.6992(3) 1.0841(4) 0.9784(3) 0.0575(18) Uani 1 1 d . . .
H72 H 0.6770 1.0448 0.9705 0.069 Uiso 1 1 calc R . .
C34 C 0.6660(5) 1.1329(5) 1.0068(3) 0.074(2) Uani 1 1 d . . .
H73 H 0.6218 1.1259 1.0189 0.089 Uiso 1 1 calc R . .
C35 C 0.6956(5) 1.1912(6) 1.0177(3) 0.083(3) Uani 1 1 d . . .
H74 H 0.6718 1.2245 1.0362 0.100 Uiso 1 1 calc R . .
C36 C 0.7611(5) 1.2009(4) 1.0013(4) 0.075(3) Uani 1 1 d . . .
H75 H 0.7824 1.2407 1.0091 0.091 Uiso 1 1 calc R . .
C37 C 0.7947(4) 1.1523(4) 0.9739(3) 0.0588(18) Uani 1 1 d . . .
H76 H 0.8392 1.1589 0.9628 0.071 Uiso 1 1 calc R . .
C38 C 0.8702(2) 1.0581(2) 0.8864(2) 0.0300(10) Uani 1 1 d . . .
C39 C 0.8528(3) 1.1133(3) 0.8573(3) 0.0402(12) Uani 1 1 d . . .
H71 H 0.8094 1.1301 0.8614 0.048 Uiso 1 1 calc R . .
C40 C 0.8974(3) 1.1446(3) 0.8224(3) 0.0550(18) Uani 1 1 d . . .
H70 H 0.8844 1.1826 0.8030 0.066 Uiso 1 1 calc R . .
C41 C 0.9615(3) 1.1207(3) 0.8156(3) 0.0543(17) Uani 1 1 d . . .
H69 H 0.9927 1.1429 0.7928 0.065 Uiso 1 1 calc R . .
C42 C 0.9784(3) 1.0637(3) 0.8429(3) 0.0433(13) Uani 1 1 d . . .
H68 H 1.0212 1.0460 0.8377 0.052 Uiso 1 1 calc R . .
C43 C 0.9331(2) 1.0320(2) 0.8782(2) 0.0304(10) Uani 1 1 d . . .
C44 C 0.1824(3) 0.7552(3) 0.7988(2) 0.0379(12) Uani 1 1 d . . .
H9 H 0.1501 0.7667 0.7714 0.045 Uiso 1 1 calc R . .
C45 C 0.4490(3) 0.9214(2) 0.8897(2) 0.0342(11) Uani 1 1 d . . .
C46 C 0.2417(3) 0.7894(2) 0.8021(2) 0.0340(11) Uani 1 1 d . . .
C47 C 0.1707(3) 0.7037(3) 0.8362(3) 0.0465(14) Uani 1 1 d . . .
H10 H 0.1307 0.6799 0.8338 0.056 Uiso 1 1 calc R . .
C48 C 0.2171(4) 0.6878(3) 0.8760(3) 0.0521(18) Uani 1 1 d . . .
H11 H 0.2092 0.6529 0.9011 0.063 Uiso 1 1 calc R . .
C49 C 0.2761(4) 0.7228(3) 0.8798(3) 0.0569(18) Uani 1 1 d . . .
H12 H 0.3082 0.7115 0.9074 0.068 Uiso 1 1 calc R . .
C50 C 0.2875(3) 0.7734(3) 0.8437(3) 0.0429(13) Uani 1 1 d . . .
H13 H 0.3270 0.7977 0.8471 0.051 Uiso 1 1 calc R . .
C51 C 0.3053(3) 0.8097(3) 0.6965(2) 0.0378(12) Uani 1 1 d . . .
C52 C 0.3644(3) 0.8364(3) 0.6759(3) 0.0464(14) Uani 1 1 d . . .
H14 H 0.3789 0.8772 0.6893 0.056 Uiso 1 1 calc R . .
C53 C 0.4018(4) 0.8031(4) 0.6360(3) 0.063(2) Uani 1 1 d . . .
H15 H 0.4429 0.8202 0.6237 0.075 Uiso 1 1 calc R . .
C54 C 0.3800(4) 0.7460(4) 0.6144(3) 0.0564(17) Uani 1 1 d . . .
H16 H 0.4048 0.7245 0.5860 0.068 Uiso 1 1 calc R . .
C55 C 0.3211(3) 0.7193(3) 0.6341(3) 0.0498(15) Uani 1 1 d . . .
H17 H 0.3064 0.6791 0.6196 0.060 Uiso 1 1 calc R . .
C56 C 0.2843(3) 0.7509(3) 0.6743(3) 0.0441(14) Uani 1 1 d . . .
H18 H 0.2441 0.7325 0.6871 0.053 Uiso 1 1 calc R . .
C57 C 0.1811(3) 0.8754(3) 0.7257(2) 0.0406(13) Uani 1 1 d . . .
C58 C 0.1653(4) 0.8645(3) 0.6696(3) 0.0514(16) Uani 1 1 d . . .
H19 H 0.1979 0.8480 0.6446 0.062 Uiso 1 1 calc R . .
C59 C 0.1017(4) 0.8776(4) 0.6491(3) 0.063(2) Uani 1 1 d . . .
H20 H 0.0915 0.8697 0.6105 0.076 Uiso 1 1 calc R . .
C60 C 0.0536(4) 0.9021(4) 0.6850(3) 0.065(2) Uani 1 1 d . . .
H21 H 0.0107 0.9111 0.6709 0.078 Uiso 1 1 calc R . .
C61 C 0.0685(3) 0.9131(4) 0.7411(3) 0.0578(18) Uani 1 1 d . . .
H22 H 0.0354 0.9296 0.7657 0.069 Uiso 1 1 calc R . .
C62 C 0.1315(3) 0.9005(3) 0.7622(3) 0.0419(13) Uani 1 1 d . . .
C63 C 0.1453(3) 0.9123(2) 0.8244(2) 0.0338(11) Uani 1 1 d . . .
C64 C 0.4115(3) 0.9873(3) 0.9726(3) 0.0458(15) Uani 1 1 d . . .
C65 C 0.4193(4) 1.0419(4) 1.0057(4) 0.076(3) Uani 1 1 d . . .
H23 H 0.3888 1.0498 1.0355 0.092 Uiso 1 1 calc R . .
C66 C 0.4700(5) 1.0854(5) 0.9967(5) 0.108(4) Uani 1 1 d . . .
H24 H 0.4749 1.1220 1.0204 0.129 Uiso 1 1 calc R . .
C67 C 0.5134(5) 1.0748(5) 0.9529(5) 0.116(5) Uani 1 1 d . . .
H25 H 0.5473 1.1052 0.9451 0.139 Uiso 1 1 calc R . .
C68 C 0.5076(4) 1.0200(4) 0.9201(4) 0.079(3) Uani 1 1 d . . .
H26 H 0.5388 1.0122 0.8909 0.094 Uiso 1 1 calc R . .
C69 C 0.4568(3) 0.9760(3) 0.9292(3) 0.0468(15) Uani 1 1 d . . .
C70 C 0.3729(2) 0.8545(3) 0.9960(2) 0.0316(11) Uani 1 1 d . . .
C71 C 0.4382(3) 0.8435(3) 1.0099(2) 0.0397(13) Uani 1 1 d . . .
H27 H 0.4690 0.8780 1.0096 0.048 Uiso 1 1 calc R . .
C72 C 0.4582(3) 0.7823(4) 1.0243(3) 0.0526(17) Uani 1 1 d . . .
H28 H 0.5032 0.7745 1.0332 0.063 Uiso 1 1 calc R . .
C73 C 0.4132(3) 0.7318(4) 1.0259(3) 0.0561(18) Uani 1 1 d . . .
H29 H 0.4270 0.6900 1.0372 0.067 Uiso 1 1 calc R . .
C74 C 0.3483(3) 0.7427(3) 1.0110(3) 0.0490(15) Uani 1 1 d . . .
H30 H 0.3174 0.7082 1.0112 0.059 Uiso 1 1 calc R . .
C75 C 0.3284(3) 0.8035(3) 0.9960(2) 0.0361(11) Uani 1 1 d . . .
H31 H 0.2837 0.8109 0.9854 0.043 Uiso 1 1 calc R . .
C76 C 0.3101(3) 0.9561(3) 1.0551(3) 0.0514(16) Uani 1 1 d . . .
C77 C 0.2499(4) 0.9885(3) 1.0591(3) 0.0594(19) Uani 1 1 d . . .
H32 H 0.2273 1.0019 1.0259 0.071 Uiso 1 1 calc R . .
C78 C 0.2233(5) 1.0009(4) 1.1118(5) 0.088(3) Uani 1 1 d . . .
H33 H 0.1813 1.0209 1.1153 0.106 Uiso 1 1 calc R . .
C79 C 0.2591(6) 0.9835(5) 1.1595(5) 0.099(4) Uani 1 1 d . . .
H34 H 0.2414 0.9932 1.1958 0.118 Uiso 1 1 calc R . .
C80 C 0.3443(4) 0.9394(5) 1.1023(3) 0.071(2) Uani 1 1 d . . .
H35 H 0.3858 0.9184 1.0990 0.086 Uiso 1 1 calc R . .
C81 C 0.1073(2) 0.8936(3) 0.9224(2) 0.0308(10) Uani 1 1 d . . .
H36 H 0.1358 0.9313 0.9319 0.037 Uiso 1 1 calc R . .
C82 C 1.1394(3) 0.8330(3) 0.9466(2) 0.0376(12) Uani 1 1 d . . .
H37 H 1.1120 0.7950 0.9371 0.045 Uiso 1 1 calc R . .
H38 H 1.1834 0.8269 0.9292 0.045 Uiso 1 1 calc R . .
C83 C 1.0397(2) 0.9043(3) 0.9487(2) 0.0338(11) Uani 1 1 d . . .
H39 H 1.0104 0.8673 0.9385 0.041 Uiso 1 1 calc R . .
C84 C 0.9523(2) 0.9669(3) 0.9008(2) 0.0312(11) Uani 1 1 d . . .
C85 C 1.0449(3) 0.9083(3) 1.0128(2) 0.0413(13) Uani 1 1 d . . .
H62 H 1.0001 0.9123 1.0292 0.050 Uiso 1 1 calc R . .
H63 H 1.0703 0.9473 1.0233 0.050 Uiso 1 1 calc R . .
C86 C 1.0790(3) 0.8486(3) 1.0377(3) 0.0412(13) Uani 1 1 d . . .
H64 H 1.0845 0.8542 1.0790 0.049 Uiso 1 1 calc R . .
H65 H 1.0509 0.8102 1.0313 0.049 Uiso 1 1 calc R . .
C87 C 1.1467(3) 0.8378(3) 1.0102(2) 0.0364(11) Uani 1 1 d . . .
H66 H 1.1764 0.8741 1.0198 0.044 Uiso 1 1 calc R . .
H67 H 1.1666 0.7977 1.0251 0.044 Uiso 1 1 calc R . .
C88 C 0.8538(3) 0.9993(3) 0.9986(2) 0.0319(10) Uani 1 1 d . . .
C89 C 0.8316(3) 0.9458(3) 1.0283(2) 0.0384(12) Uani 1 1 d . . .
H77 H 0.7991 0.9181 1.0125 0.046 Uiso 1 1 calc R . .
C90 C 0.8581(3) 0.9334(3) 1.0823(3) 0.0438(13) Uani 1 1 d . . .
H78 H 0.8419 0.8980 1.1038 0.053 Uiso 1 1 calc R . .
C91 C 0.9071(3) 0.9719(3) 1.1045(2) 0.0371(12) Uani 1 1 d . . .
H79 H 0.9253 0.9623 1.1406 0.045 Uiso 1 1 calc R . .
C92 C 0.9294(3) 1.0239(3) 1.0746(2) 0.0369(12) Uani 1 1 d . . .
H80 H 0.9629 1.0506 1.0902 0.044 Uiso 1 1 calc R . .
C93 C 0.9034(2) 1.0380(3) 1.0215(2) 0.0321(11) Uani 1 1 d . . .
H81 H 0.9195 1.0740 1.0008 0.039 Uiso 1 1 calc R . .
C94 C 0.7689(5) 0.7559(4) 0.8551(4) 0.079(2) Uani 1 1 d . . .
H82 H 0.7261 0.7765 0.8619 0.118 Uiso 1 1 calc R . .
H83 H 0.7752 0.7208 0.8824 0.118 Uiso 1 1 calc R . .
H84 H 0.7700 0.7385 0.8166 0.118 Uiso 1 1 calc R . .
C95 C 0.0932(6) 0.1012(6) 1.0104(6) 0.119(4) Uani 1 1 d . . .
H85 H 0.1373 0.1203 1.0138 0.178 Uiso 1 1 calc R . .
H86 H 0.0893 0.0648 1.0367 0.178 Uiso 1 1 calc R . .
H87 H 0.0597 0.1336 1.0195 0.178 Uiso 1 1 calc R . .
C96 C 0.180(3) 0.1172(14) 0.7803(8) 0.51(4) Uani 1 1 d . . .
H88 H 0.1718 0.1547 0.7561 0.761 Uiso 1 1 calc R . .
H89 H 0.1664 0.0779 0.7606 0.761 Uiso 1 1 calc R . .
H90 H 0.2275 0.1147 0.7889 0.761 Uiso 1 1 calc R . .
C97 C 0.3181(6) 0.9533(6) 1.1562(4) 0.102(4) Uani 1 1 d . . .
H91 H 0.3415 0.9417 1.1895 0.122 Uiso 1 1 calc R . .
C98 C 0.2537(11) 1.1209(6) 0.9461(9) 0.210(11) Uani 1 1 d . . .
H92 H 0.2406 1.1213 0.9861 0.315 Uiso 1 1 calc R . .
H93 H 0.2392 1.1609 0.9279 0.315 Uiso 1 1 calc R . .
H94 H 0.3018 1.1172 0.9434 0.315 Uiso 1 1 calc R . .
C99 C 0.3655(14) 1.0977(9) 0.8258(17) 0.45(3) Uani 1 1 d . . .
H95 H 0.3414 1.1374 0.8169 0.668 Uiso 1 1 calc R . .
H96 H 0.3997 1.0904 0.7971 0.668 Uiso 1 1 calc R . .
H97 H 0.3862 1.1018 0.8631 0.668 Uiso 1 1 calc R . .
H98 H 0.9418(11) 0.7850(11) 0.6334(10) -0.044(4) Uiso 1 1 d . . .
H99 H 0.9207(14) 0.7202(13) 0.5992(11) -0.040(5) Uiso 1 1 d . . .
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'
B B 0.0013 0.0007 '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
O1 Ag1 P4 159.15(10) . . ?
O1 Ag1 Ag4 77.73(10) . . ?
P4 Ag1 Ag4 92.18(4) . . ?
O5 Ag2 P1 137.39(19) . . ?
O5 Ag2 O3 90.9(3) . . ?
P1 Ag2 O3 114.67(10) . . ?
O5 Ag2 Ag3 61.2(2) . . ?
P1 Ag2 Ag3 99.74(4) . . ?
O3 Ag2 Ag3 62.52(9) . . ?
O4 Ag3 P2 164.98(13) . . ?
O4 Ag3 O6 87.6(2) . . ?
P2 Ag3 O6 107.4(2) . . ?
O4 Ag3 Ag2 63.40(10) . . ?
P2 Ag3 Ag2 110.52(4) . . ?
O6 Ag3 Ag2 107.4(4) . . ?
O2 Ag4 P3 150.87(9) . . ?
O2 Ag4 O7 87.25(19) . . ?
P3 Ag4 O7 120.02(16) . . ?
O2 Ag4 Ag1 84.69(10) . . ?
P3 Ag4 Ag1 90.76(3) . . ?
O7 Ag4 Ag1 78.4(2) . . ?
C46 P1 C51 102.9(2) . . ?
C46 P1 C57 101.3(3) . . ?
C51 P1 C57 107.3(3) . . ?
C46 P1 Ag2 115.00(18) . . ?
C51 P1 Ag2 111.24(19) . . ?
C57 P1 Ag2 117.7(2) . . ?
C70 P2 C64 105.6(3) . . ?
C70 P2 C76 101.2(3) . . ?
C64 P2 C76 104.5(3) . . ?
C70 P2 Ag3 120.20(18) . . ?
C64 P2 Ag3 109.3(2) . . ?
C76 P2 Ag3 114.5(2) . . ?
C20 P3 C14 105.9(2) . . ?
C20 P3 C13 103.0(2) . . ?
C14 P3 C13 104.3(2) . . ?
C20 P3 Ag4 111.19(18) . . ?
C14 P3 Ag4 113.66(17) . . ?
C13 P3 Ag4 117.60(16) . . ?
C88 P4 C32 100.2(2) . . ?
C88 P4 C38 107.4(2) . . ?
C32 P4 C38 104.6(3) . . ?
C88 P4 Ag1 116.04(18) . . ?
C32 P4 Ag1 113.5(2) . . ?
C38 P4 Ag1 113.69(17) . . ?
F3 B1 F4 112.2(6) . . ?
F3 B1 F2 109.9(7) . . ?
F4 B1 F2 109.9(7) . . ?
F3 B1 F1 110.5(7) . . ?
F4 B1 F1 110.2(6) . . ?
F2 B1 F1 103.7(6) . . ?
F5 B2 F6 111.8(7) . . ?
F5 B2 F7 110.8(8) . . ?
F6 B2 F7 107.6(7) . . ?
F5 B2 F8 110.8(7) . . ?
F6 B2 F8 109.6(8) . . ?
F7 B2 F8 106.0(7) . . ?
F12 B3 F11 111.9(6) . . ?
F12 B3 F9 109.7(6) . . ?
F11 B3 F9 109.3(6) . . ?
F12 B3 F10 110.0(6) . . ?
F11 B3 F10 107.1(5) . . ?
F9 B3 F10 108.7(5) . . ?
F14 B4 F16 123.7(19) . . ?
F14 B4 F13 114.0(12) . . ?
F16 B4 F13 113.3(12) . . ?
F14 B4 F15 97.6(14) . . ?
F16 B4 F15 99.3(13) . . ?
F13 B4 F15 103.6(17) . . ?
C63 N1 C81 124.3(5) . . ?
C63 N1 H1 117.9 . . ?
C81 N1 H1 117.8 . . ?
C7 N2 C1 123.8(4) . . ?
C7 N2 H2 118.1 . . ?
C1 N2 H2 118.1 . . ?
C45 N3 C2 122.4(4) . . ?
C45 N3 H3 118.8 . . ?
C2 N3 H3 118.8 . . ?
C84 N4 C83 124.1(4) . . ?
C84 N4 H4 117.9 . . ?
C83 N4 H4 117.9 . . ?
C7 O1 Ag1 120.2(3) . . ?
C84 O2 Ag4 125.3(3) . . ?
C45 O3 Ag2 133.2(4) . . ?
C63 O4 Ag3 139.5(4) . . ?
C99 O5 Ag2 129.1(9) . . ?
C98 O6 Ag3 130.0(11) . . ?
C94 O7 Ag4 136.6(5) . . ?
C95 O8 H5 109.5 . . ?
C96 O9 H6 119.6 . . ?
H98 O10 H99 140(4) . . ?
N2 C1 C6 110.8(4) . . ?
N2 C1 C2 110.6(4) . . ?
C6 C1 C2 110.1(4) . . ?
N2 C1 H7 108.4 . . ?
C6 C1 H7 108.4 . . ?
C2 C1 H7 108.4 . . ?
N3 C2 C1 111.0(4) . . ?
N3 C2 C3 111.7(4) . . ?
C1 C2 C3 109.4(4) . . ?
N3 C2 H8 108.2 . . ?
C1 C2 H8 108.2 . . ?
C3 C2 H8 108.2 . . ?
C4 C3 C2 109.4(5) . . ?
C4 C3 H40 109.8 . . ?
C2 C3 H40 109.8 . . ?
C4 C3 H41 109.8 . . ?
C2 C3 H41 109.8 . . ?
H40 C3 H41 108.2 . . ?
C5 C4 C3 111.5(5) . . ?
C5 C4 H42 109.3 . . ?
C3 C4 H42 109.3 . . ?
C5 C4 H43 109.3 . . ?
C3 C4 H43 109.3 . . ?
H42 C4 H43 108.0 . . ?
C4 C5 C6 111.7(5) . . ?
C4 C5 H44 109.3 . . ?
C6 C5 H44 109.3 . . ?
C4 C5 H45 109.3 . . ?
C6 C5 H45 109.3 . . ?
H44 C5 H45 108.0 . . ?
C1 C6 C5 110.3(5) . . ?
C1 C6 H46 109.6 . . ?
C5 C6 H46 109.6 . . ?
C1 C6 H47 109.6 . . ?
C5 C6 H47 109.6 . . ?
H46 C6 H47 108.1 . . ?
O1 C7 N2 120.9(4) . . ?
O1 C7 C8 120.8(4) . . ?
N2 C7 C8 118.3(4) . . ?
C9 C8 C13 118.7(4) . . ?
C9 C8 C7 118.9(4) . . ?
C13 C8 C7 122.4(4) . . ?
C10 C9 C8 121.5(5) . . ?
C10 C9 H48 119.3 . . ?
C8 C9 H48 119.3 . . ?
C11 C10 C9 119.6(5) . . ?
C11 C10 H49 120.2 . . ?
C9 C10 H49 120.2 . . ?
C10 C11 C12 119.8(5) . . ?
C10 C11 H50 120.1 . . ?
C12 C11 H50 120.1 . . ?
C11 C12 C13 122.7(5) . . ?
C11 C12 H51 118.7 . . ?
C13 C12 H51 118.7 . . ?
C12 C13 C8 117.7(4) . . ?
C12 C13 P3 120.5(4) . . ?
C8 C13 P3 121.8(3) . . ?
C19 C14 C15 119.5(5) . . ?
C19 C14 P3 118.7(4) . . ?
C15 C14 P3 121.8(4) . . ?
C16 C15 C14 119.9(5) . . ?
C16 C15 H61 120.0 . . ?
C14 C15 H61 120.0 . . ?
C15 C16 C17 120.4(6) . . ?
C15 C16 H60 119.8 . . ?
C17 C16 H60 119.8 . . ?
C18 C17 C16 118.9(6) . . ?
C18 C17 H59 120.5 . . ?
C16 C17 H59 120.5 . . ?
C17 C18 C19 121.4(6) . . ?
C17 C18 H58 119.3 . . ?
C19 C18 H58 119.3 . . ?
C14 C19 C18 119.7(6) . . ?
C14 C19 H57 120.1 . . ?
C18 C19 H57 120.1 . . ?
C21 C20 C25 118.6(6) . . ?
C21 C20 P3 123.6(5) . . ?
C25 C20 P3 117.8(5) . . ?
C20 C21 C22 119.9(7) . . ?
C20 C21 H56 120.1 . . ?
C22 C21 H56 120.0 . . ?
C23 C22 C21 119.7(7) . . ?
C23 C22 H55 120.1 . . ?
C21 C22 H55 120.1 . . ?
C24 C23 C22 120.5(6) . . ?
C24 C23 H54 119.8 . . ?
C22 C23 H54 119.7 . . ?
C23 C24 C25 119.9(7) . . ?
C23 C24 H53 120.0 . . ?
C25 C24 H53 120.1 . . ?
C24 C25 C20 121.2(7) . . ?
C24 C25 H52 119.4 . . ?
C20 C25 H52 119.4 . . ?
C33 C32 C37 117.6(6) . . ?
C33 C32 P4 120.4(5) . . ?
C37 C32 P4 121.3(5) . . ?
C32 C33 C34 121.2(8) . . ?
C32 C33 H72 119.4 . . ?
C34 C33 H72 119.4 . . ?
C35 C34 C33 121.4(9) . . ?
C35 C34 H73 119.3 . . ?
C33 C34 H73 119.3 . . ?
C34 C35 C36 119.3(8) . . ?
C34 C35 H74 120.4 . . ?
C36 C35 H74 120.3 . . ?
C37 C36 C35 119.6(9) . . ?
C37 C36 H75 120.2 . . ?
C35 C36 H75 120.2 . . ?
C36 C37 C32 120.9(8) . . ?
C36 C37 H76 119.6 . . ?
C32 C37 H76 119.6 . . ?
C39 C38 C43 119.1(5) . . ?
C39 C38 P4 118.2(4) . . ?
C43 C38 P4 122.7(4) . . ?
C38 C39 C40 121.2(5) . . ?
C38 C39 H71 119.4 . . ?
C40 C39 H71 119.4 . . ?
C39 C40 C41 120.5(5) . . ?
C39 C40 H70 119.7 . . ?
C41 C40 H70 119.8 . . ?
C42 C41 C40 118.5(6) . . ?
C42 C41 H69 120.8 . . ?
C40 C41 H69 120.8 . . ?
C41 C42 C43 120.9(5) . . ?
C41 C42 H68 119.5 . . ?
C43 C42 H68 119.5 . . ?
C38 C43 C42 119.7(5) . . ?
C38 C43 C84 122.2(4) . . ?
C42 C43 C84 117.7(5) . . ?
C46 C44 C47 119.7(6) . . ?
C46 C44 H9 120.1 . . ?
C47 C44 H9 120.1 . . ?
O3 C45 N3 121.5(5) . . ?
O3 C45 C69 120.8(5) . . ?
N3 C45 C69 117.6(5) . . ?
C50 C46 C44 119.3(5) . . ?
C50 C46 P1 118.1(5) . . ?
C44 C46 P1 122.5(4) . . ?
C48 C47 C44 119.9(6) . . ?
C48 C47 H10 120.1 . . ?
C44 C47 H10 120.0 . . ?
C47 C48 C49 120.3(6) . . ?
C47 C48 H11 119.9 . . ?
C49 C48 H11 119.9 . . ?
C50 C49 C48 120.0(6) . . ?
C50 C49 H12 120.0 . . ?
C48 C49 H12 120.0 . . ?
C49 C50 C46 120.7(6) . . ?
C49 C50 H13 119.7 . . ?
C46 C50 H13 119.6 . . ?
C56 C51 C52 118.3(5) . . ?
C56 C51 P1 124.3(4) . . ?
C52 C51 P1 117.4(5) . . ?
C53 C52 C51 120.1(6) . . ?
C53 C52 H14 120.0 . . ?
C51 C52 H14 119.9 . . ?
C54 C53 C52 120.6(6) . . ?
C54 C53 H15 119.7 . . ?
C52 C53 H15 119.7 . . ?
C53 C54 C55 119.8(7) . . ?
C53 C54 H16 120.1 . . ?
C55 C54 H16 120.1 . . ?
C56 C55 C54 120.4(6) . . ?
C56 C55 H17 119.8 . . ?
C54 C55 H17 119.8 . . ?
C55 C56 C51 120.8(6) . . ?
C55 C56 H18 119.6 . . ?
C51 C56 H18 119.6 . . ?
C58 C57 C62 118.6(6) . . ?
C58 C57 P1 120.1(5) . . ?
C62 C57 P1 121.2(4) . . ?
C57 C58 C59 120.8(7) . . ?
C57 C58 H19 119.6 . . ?
C59 C58 H19 119.6 . . ?
C60 C59 C58 120.3(7) . . ?
C60 C59 H20 119.8 . . ?
C58 C59 H20 119.8 . . ?
C61 C60 C59 119.7(7) . . ?
C61 C60 H21 120.1 . . ?
C59 C60 H21 120.2 . . ?
C60 C61 C62 120.7(7) . . ?
C60 C61 H22 119.6 . . ?
C62 C61 H22 119.6 . . ?
C61 C62 C57 119.9(6) . . ?
C61 C62 C63 119.0(6) . . ?
C57 C62 C63 121.1(5) . . ?
O4 C63 N1 124.5(5) . . ?
O4 C63 C62 119.3(5) . . ?
N1 C63 C62 116.1(5) . . ?
C65 C64 C69 118.5(6) . . ?
C65 C64 P2 119.4(5) . . ?
C69 C64 P2 122.0(4) . . ?
C66 C65 C64 122.0(7) . . ?
C66 C65 H23 119.0 . . ?
C64 C65 H23 119.0 . . ?
C67 C66 C65 119.1(7) . . ?
C67 C66 H24 120.5 . . ?
C65 C66 H24 120.5 . . ?
C66 C67 C68 120.0(7) . . ?
C66 C67 H25 120.0 . . ?
C68 C67 H25 120.0 . . ?
C67 C68 C69 121.0(7) . . ?
C67 C68 H26 119.5 . . ?
C69 C68 H26 119.5 . . ?
C68 C69 C64 119.3(6) . . ?
C68 C69 C45 118.9(5) . . ?
C64 C69 C45 121.6(5) . . ?
C71 C70 C75 119.6(5) . . ?
C71 C70 P2 123.0(4) . . ?
C75 C70 P2 117.1(4) . . ?
C72 C71 C70 119.6(6) . . ?
C72 C71 H27 120.2 . . ?
C70 C71 H27 120.2 . . ?
C71 C72 C73 120.7(6) . . ?
C71 C72 H28 119.7 . . ?
C73 C72 H28 119.7 . . ?
C74 C73 C72 119.6(6) . . ?
C74 C73 H29 120.2 . . ?
C72 C73 H29 120.2 . . ?
C75 C74 C73 119.8(6) . . ?
C75 C74 H30 120.1 . . ?
C73 C74 H30 120.1 . . ?
C74 C75 C70 120.6(5) . . ?
C74 C75 H31 119.7 . . ?
C70 C75 H31 119.7 . . ?
C80 C76 C77 120.7(6) . . ?
C80 C76 P2 121.8(5) . . ?
C77 C76 P2 117.5(6) . . ?
C78 C77 C76 119.5(9) . . ?
C78 C77 H32 120.2 . . ?
C76 C77 H32 120.3 . . ?
C77 C78 C79 118.8(8) . . ?
C77 C78 H33 120.6 . . ?
C79 C78 H33 120.6 . . ?
C97 C79 C78 122.3(8) . . ?
C97 C79 H34 118.9 . . ?
C78 C79 H34 118.8 . . ?
C76 C80 C97 119.9(8) . . ?
C76 C80 H35 120.0 . . ?
C97 C80 H35 120.1 . . ?
N1 C81 C83 109.7(4) . 1_455 ?
N1 C81 C82 111.7(4) . 1_455 ?
C83 C81 C82 110.5(4) 1_455 1_455 ?
N1 C81 H36 108.3 . . ?
C83 C81 H36 108.3 1_455 . ?
C82 C81 H36 108.3 1_455 . ?
C87 C82 C81 111.0(5) . 1_655 ?
C87 C82 H37 109.4 . . ?
C81 C82 H37 109.4 1_655 . ?
C87 C82 H38 109.4 . . ?
C81 C82 H38 109.4 1_655 . ?
H37 C82 H38 108.0 . . ?
N4 C83 C81 110.3(4) . 1_655 ?
N4 C83 C85 109.3(5) . . ?
C81 C83 C85 110.6(4) 1_655 . ?
N4 C83 H39 108.8 . . ?
C81 C83 H39 108.8 1_655 . ?
C85 C83 H39 108.8 . . ?
O2 C84 N4 122.7(5) . . ?
O2 C84 C43 121.5(4) . . ?
N4 C84 C43 115.8(4) . . ?
C83 C85 C86 111.7(5) . . ?
C83 C85 H62 109.3 . . ?
C86 C85 H62 109.3 . . ?
C83 C85 H63 109.3 . . ?
C86 C85 H63 109.3 . . ?
H62 C85 H63 107.9 . . ?
C87 C86 C85 111.0(5) . . ?
C87 C86 H64 109.4 . . ?
C85 C86 H64 109.4 . . ?
C87 C86 H65 109.5 . . ?
C85 C86 H65 109.5 . . ?
H64 C86 H65 108.0 . . ?
C82 C87 C86 110.0(5) . . ?
C82 C87 H66 109.7 . . ?
C86 C87 H66 109.7 . . ?
C82 C87 H67 109.7 . . ?
C86 C87 H67 109.7 . . ?
H66 C87 H67 108.2 . . ?
C89 C88 C93 119.7(5) . . ?
C89 C88 P4 118.3(4) . . ?
C93 C88 P4 121.5(4) . . ?
C88 C89 C90 118.7(5) . . ?
C88 C89 H77 120.6 . . ?
C90 C89 H77 120.6 . . ?
C91 C90 C89 120.9(5) . . ?
C91 C90 H78 119.5 . . ?
C89 C90 H78 119.5 . . ?
C92 C91 C90 119.9(5) . . ?
C92 C91 H79 120.0 . . ?
C90 C91 H79 120.0 . . ?
C91 C92 C93 120.5(5) . . ?
C91 C92 H80 119.8 . . ?
C93 C92 H80 119.8 . . ?
C92 C93 C88 120.2(5) . . ?
C92 C93 H81 119.9 . . ?
C88 C93 H81 119.9 . . ?
O7 C94 H82 109.5 . . ?
O7 C94 H83 109.5 . . ?
H82 C94 H83 109.5 . . ?
O7 C94 H84 109.5 . . ?
H82 C94 H84 109.5 . . ?
H83 C94 H84 109.5 . . ?
O8 C95 H85 109.4 . . ?
O8 C95 H86 109.5 . . ?
H85 C95 H86 109.5 . . ?
O8 C95 H87 109.5 . . ?
H85 C95 H87 109.5 . . ?
H86 C95 H87 109.5 . . ?
O9 C96 H88 123.3 . . ?
O9 C96 H89 123.3 . . ?
H88 C96 H89 92.7 . . ?
O9 C96 H90 123.3 . . ?
H88 C96 H90 92.7 . . ?
H89 C96 H90 92.8 . . ?
C79 C97 C80 118.7(11) . . ?
C79 C97 H91 120.6 . . ?
C80 C97 H91 120.6 . . ?
O6 C98 H92 109.5 . . ?
O6 C98 H93 109.3 . . ?
H92 C98 H93 109.5 . . ?
O6 C98 H94 109.7 . . ?
H92 C98 H94 109.5 . . ?
H93 C98 H94 109.5 . . ?
O5 C99 H95 110.9 . . ?
O5 C99 H96 111.6 . . ?
H95 C99 H96 107.9 . . ?
O5 C99 H97 110.9 . . ?
H95 C99 H97 107.8 . . ?
H96 C99 H97 107.7 . . ?
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 O1 2.199(4) . ?
Ag1 P4 2.3436(14) . ?
Ag1 Ag4 2.9406(6) . ?
Ag2 O5 2.312(6) . ?
Ag2 P1 2.3649(15) . ?
Ag2 O3 2.386(4) . ?
Ag2 Ag3 3.1854(7) . ?
Ag3 O4 2.203(4) . ?
Ag3 P2 2.3504(16) . ?
Ag3 O6 2.521(8) . ?
Ag4 O2 2.252(4) . ?
Ag4 P3 2.3704(13) . ?
Ag4 O7 2.389(6) . ?
P1 C46 1.811(5) . ?
P1 C51 1.818(6) . ?
P1 C57 1.836(6) . ?
P2 C70 1.823(6) . ?
P2 C64 1.836(6) . ?
P2 C76 1.836(6) . ?
P3 C20 1.822(5) . ?
P3 C14 1.826(5) . ?
P3 C13 1.840(5) . ?
P4 C88 1.812(5) . ?
P4 C32 1.827(6) . ?
P4 C38 1.831(5) . ?
B1 F3 1.341(9) . ?
B1 F4 1.362(9) . ?
B1 F2 1.398(10) . ?
B1 F1 1.418(10) . ?
B2 F5 1.357(11) . ?
B2 F6 1.365(11) . ?
B2 F7 1.372(10) . ?
B2 F8 1.373(10) . ?
B3 F12 1.363(8) . ?
B3 F11 1.382(8) . ?
B3 F9 1.389(8) . ?
B3 F10 1.396(8) . ?
B4 F14 1.272(16) . ?
B4 F16 1.29(2) . ?
B4 F13 1.358(14) . ?
B4 F15 1.50(2) . ?
N1 C63 1.319(7) . ?
N1 C81 1.474(7) . ?
N1 H1 0.8800 . ?
N2 C7 1.322(6) . ?
N2 C1 1.478(6) . ?
N2 H2 0.8800 . ?
N3 C45 1.314(7) . ?
N3 C2 1.468(6) . ?
N3 H3 0.8800 . ?
N4 C84 1.327(6) . ?
N4 C83 1.466(6) . ?
N4 H4 0.8800 . ?
O1 C7 1.265(6) . ?
O2 C84 1.246(6) . ?
O3 C45 1.259(7) . ?
O4 C63 1.235(7) . ?
O5 C99 1.59(3) . ?
O6 C98 1.41(2) . ?
O7 C94 1.417(11) . ?
O8 C95 1.403(15) . ?
O8 H5 0.8401 . ?
O9 C96 1.51(4) . ?
O9 H6 0.9393 . ?
O10 H98 1.09(3) . ?
O10 H99 0.63(3) . ?
C1 C6 1.524(8) . ?
C1 C2 1.529(7) . ?
C1 H7 1.0000 . ?
C2 C3 1.530(7) . ?
C2 H8 1.0000 . ?
C3 C4 1.522(8) . ?
C3 H40 0.9900 . ?
C3 H41 0.9900 . ?
C4 C5 1.498(9) . ?
C4 H42 0.9900 . ?
C4 H43 0.9900 . ?
C5 C6 1.545(9) . ?
C5 H44 0.9900 . ?
C5 H45 0.9900 . ?
C6 H46 0.9900 . ?
C6 H47 0.9900 . ?
C7 C8 1.475(6) . ?
C8 C9 1.393(6) . ?
C8 C13 1.431(6) . ?
C9 C10 1.390(7) . ?
C9 H48 0.9500 . ?
C10 C11 1.370(8) . ?
C10 H49 0.9500 . ?
C11 C12 1.378(8) . ?
C11 H50 0.9500 . ?
C12 C13 1.382(7) . ?
C12 H51 0.9500 . ?
C14 C19 1.372(7) . ?
C14 C15 1.403(7) . ?
C15 C16 1.369(8) . ?
C15 H61 0.9500 . ?
C16 C17 1.396(9) . ?
C16 H60 0.9500 . ?
C17 C18 1.366(10) . ?
C17 H59 0.9500 . ?
C18 C19 1.383(9) . ?
C18 H58 0.9500 . ?
C19 H57 0.9500 . ?
C20 C21 1.371(8) . ?
C20 C25 1.397(8) . ?
C21 C22 1.401(9) . ?
C21 H56 0.9500 . ?
C22 C23 1.382(11) . ?
C22 H55 0.9500 . ?
C23 C24 1.353(11) . ?
C23 H54 0.9500 . ?
C24 C25 1.372(9) . ?
C24 H53 0.9500 . ?
C25 H52 0.9500 . ?
C32 C33 1.358(9) . ?
C32 C37 1.445(10) . ?
C33 C34 1.389(11) . ?
C33 H72 0.9500 . ?
C34 C35 1.374(14) . ?
C34 H73 0.9500 . ?
C35 C36 1.396(14) . ?
C35 H74 0.9500 . ?
C36 C37 1.377(10) . ?
C36 H75 0.9500 . ?
C37 H76 0.9500 . ?
C38 C39 1.380(7) . ?
C38 C43 1.397(7) . ?
C39 C40 1.385(9) . ?
C39 H71 0.9500 . ?
C40 C41 1.398(9) . ?
C40 H70 0.9500 . ?
C41 C42 1.389(9) . ?
C41 H69 0.9500 . ?
C42 C43 1.402(7) . ?
C42 H68 0.9500 . ?
C43 C84 1.504(7) . ?
C44 C46 1.398(8) . ?
C44 C47 1.407(8) . ?
C44 H9 0.9500 . ?
C45 C69 1.477(8) . ?
C46 C50 1.391(8) . ?
C47 C48 1.368(10) . ?
C47 H10 0.9500 . ?
C48 C49 1.402(11) . ?
C48 H11 0.9500 . ?
C49 C50 1.371(10) . ?
C49 H12 0.9500 . ?
C50 H13 0.9500 . ?
C51 C56 1.394(8) . ?
C51 C52 1.406(8) . ?
C52 C53 1.393(10) . ?
C52 H14 0.9500 . ?
C53 C54 1.363(10) . ?
C53 H15 0.9500 . ?
C54 C55 1.394(9) . ?
C54 H16 0.9500 . ?
C55 C56 1.374(9) . ?
C55 H17 0.9500 . ?
C56 H18 0.9500 . ?
C57 C58 1.381(9) . ?
C57 C62 1.422(9) . ?
C58 C59 1.402(10) . ?
C58 H19 0.9500 . ?
C59 C60 1.386(12) . ?
C59 H20 0.9500 . ?
C60 C61 1.379(11) . ?
C60 H21 0.9500 . ?
C61 C62 1.396(9) . ?
C61 H22 0.9500 . ?
C62 C63 1.515(8) . ?
C64 C65 1.386(9) . ?
C64 C69 1.395(8) . ?
C65 C66 1.384(11) . ?
C65 H23 0.9500 . ?
C66 C67 1.375(12) . ?
C66 H24 0.9500 . ?
C67 C68 1.379(11) . ?
C67 H25 0.9500 . ?
C68 C69 1.392(9) . ?
C68 H26 0.9500 . ?
C70 C71 1.380(7) . ?
C70 C75 1.391(8) . ?
C71 C72 1.374(9) . ?
C71 H27 0.9500 . ?
C72 C73 1.390(10) . ?
C72 H28 0.9500 . ?
C73 C74 1.379(9) . ?
C73 H29 0.9500 . ?
C74 C75 1.371(8) . ?
C74 H30 0.9500 . ?
C75 H31 0.9500 . ?
C76 C80 1.357(11) . ?
C76 C77 1.397(10) . ?
C77 C78 1.380(11) . ?
C77 H32 0.9500 . ?
C78 C79 1.387(16) . ?
C78 H33 0.9500 . ?
C79 C97 1.352(16) . ?
C79 H34 0.9500 . ?
C80 C97 1.410(10) . ?
C80 H35 0.9500 . ?
C81 C83 1.520(7) 1_455 ?
C81 C82 1.527(7) 1_455 ?
C81 H36 1.0000 . ?
C82 C87 1.514(8) . ?
C82 C81 1.527(7) 1_655 ?
C82 H37 0.9900 . ?
C82 H38 0.9900 . ?
C83 C81 1.520(7) 1_655 ?
C83 C85 1.520(8) . ?
C83 H39 1.0000 . ?
C85 C86 1.534(8) . ?
C85 H62 0.9900 . ?
C85 H63 0.9900 . ?
C86 C87 1.533(8) . ?
C86 H64 0.9900 . ?
C86 H65 0.9900 . ?
C87 H66 0.9900 . ?
C87 H67 0.9900 . ?
C88 C89 1.389(7) . ?
C88 C93 1.395(7) . ?
C89 C90 1.408(8) . ?
C89 H77 0.9500 . ?
C90 C91 1.377(8) . ?
C90 H78 0.9500 . ?
C91 C92 1.366(8) . ?
C91 H79 0.9500 . ?
C92 C93 1.392(8) . ?
C92 H80 0.9500 . ?
C93 H81 0.9500 . ?
C94 H82 0.9800 . ?
C94 H83 0.9800 . ?
C94 H84 0.9800 . ?
C95 H85 0.9800 . ?
C95 H86 0.9800 . ?
C95 H87 0.9800 . ?
C96 H88 1.1182 . ?
C96 H89 1.1179 . ?
C96 H90 1.1175 . ?
C97 H91 0.9500 . ?
C98 H92 0.9800 . ?
C98 H93 0.9800 . ?
C98 H94 0.9800 . ?
C99 H95 0.9971 . ?
C99 H96 0.9983 . ?
C99 H97 0.9972 . ?
