#------------------------------------------------------------------------------
#$Date: 2016-03-25 11:16:03 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179782 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/78/7007800.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_7007800
loop_
_publ_author_name
'Uzelmeier, Calvin E.'
'Smucker, Bradley W.'
'Reinheimer, Eric W.'
'Shatruk, Mikhail'
'O'Neal, Amanda W'
'Fourmigué, Marc'
'Dunbar, Kim R.'
_publ_section_title
;
 A series of complexes of the phosphorus-based TTF ligand o-P2 with the
 metal ions Fe(II), Co(II), Ni(II), Pd(II), Pt(II), and Ag(I).
;
_journal_issue                   44
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5259
_journal_page_last               5268
_journal_paper_doi               10.1039/b610659e
_journal_year                    2006
_chemical_formula_moiety         '2(C64 H52 Ag P4 S8), 2(F6 P), 3(C2 H3 N)'
_chemical_formula_sum            'C134 H113 Ag2 F12 N3 P10 S16'
_chemical_formula_weight         3031.84
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 109.509(11)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   25.098(13)
_cell_length_b                   21.265(11)
_cell_length_c                   26.793(14)
_cell_measurement_temperature    110(2)
_cell_volume                     13479(12)
_computing_cell_refinement       'SAINT (Bruker, 2001)'
_computing_data_collection       'SMART V5.625 (Bruker, 2001)'
_computing_data_reduction        'SHELXS-97 (Sheldrick, 1990)'
_computing_molecular_graphics    'X-Seed (Barbour, 2001)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      110(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker D8 on GADDS'
_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  0.1264
_diffrn_reflns_av_sigmaI/netI    0.1818
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            75004
_diffrn_reflns_theta_full        26.37
_diffrn_reflns_theta_max         26.37
_diffrn_reflns_theta_min         0.96
_exptl_absorpt_coefficient_mu    0.725
_exptl_absorpt_correction_T_max  0.964
_exptl_absorpt_correction_T_min  0.933
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker, 2000)'
_exptl_crystal_colour            red-orange
_exptl_crystal_density_diffrn    1.494
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             6184
_exptl_crystal_size_max          .10
_exptl_crystal_size_mid          .08
_exptl_crystal_size_min          .05
_refine_diff_density_max         3.205
_refine_diff_density_min         -1.843
_refine_diff_density_rms         0.154
_refine_ls_extinction_coef       0.00000(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1519
_refine_ls_number_reflns         27550
_refine_ls_number_restraints     9
_refine_ls_restrained_S_all      1.049
_refine_ls_R_factor_all          0.1886
_refine_ls_R_factor_gt           0.1001
_refine_ls_shift/su_max          1.028
_refine_ls_shift/su_mean         0.004
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0600P)²+121.1530P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1967
_refine_ls_wR_factor_ref         0.2303
_reflns_number_gt                14709
_reflns_number_total             27550
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b610659e.txt
_cod_data_source_block           h:\er044\work\p21n
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'Multi-scan' changed
to 'multi-scan' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7007800
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -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 0.70105(3) 0.30161(3) 0.15144(3) 0.01717(17) Uani 1 1 d . . .
P3 P 0.60139(10) 0.26916(11) 0.12260(9) 0.0168(5) Uiso 1 1 d . . .
S6 S 0.54292(10) 0.14214(10) 0.08504(9) 0.0182(5) Uani 1 1 d . . .
P2 P 0.75183(10) 0.36250(11) 0.23325(9) 0.0171(5) Uiso 1 1 d . . .
S8 S 0.57696(10) -0.06052(10) 0.08673(9) 0.0193(5) Uani 1 1 d . . .
S5 S 0.64943(10) 0.06956(10) 0.12022(9) 0.0182(5) Uani 1 1 d . . .
S2 S 0.82985(10) 0.47748(10) 0.25320(9) 0.0193(5) Uani 1 1 d . . .
S1 S 0.82031(10) 0.49280(10) 0.14115(9) 0.0194(5) Uani 1 1 d . . .
P4 P 0.72295(10) 0.18698(10) 0.16168(9) 0.0168(5) Uiso 1 1 d . . .
P1 P 0.74051(10) 0.37835(10) 0.10464(9) 0.0162(5) Uiso 1 1 d . . .
S7 S 0.47200(10) 0.01304(10) 0.05715(9) 0.0197(5) Uani 1 1 d . . .
S4 S 0.94550(11) 0.55743(10) 0.28999(9) 0.0203(5) Uani 1 1 d . . .
S3 S 0.93793(11) 0.57561(11) 0.17904(9) 0.0208(5) Uani 1 1 d . . .
C10 C 0.6545(4) 0.1514(4) 0.1286(3) 0.017(2) Uani 1 1 d . . .
C9 C 0.6056(4) 0.1842(4) 0.1136(3) 0.0142(19) Uani 1 1 d . . .
C1 C 0.7871(4) 0.4233(4) 0.2081(4) 0.0152(19) Uani 1 1 d . . .
C2 C 0.7828(4) 0.4307(3) 0.1565(3) 0.0112(18) Uani 1 1 d . . .
C53 C 0.7700(4) 0.1530(4) 0.1301(4) 0.024(2) Uani 1 1 d . . .
C47 C 0.5452(4) 0.2941(4) 0.0636(3) 0.020(2) Uani 1 1 d . . .
C21 C 0.8570(5) 0.2867(5) 0.0575(5) 0.043(3) Uani 1 1 d . . .
H21 H 0.8781 0.2501 0.0673 0.052 Uiso 1 1 calc R . .
C11 C 0.5756(3) 0.0676(4) 0.0933(3) 0.0111(18) Uani 1 1 d . . .
C14 C 0.5130(5) -0.1027(4) 0.0631(4) 0.024(2) Uani 1 1 d . . .
C3 C 0.8589(4) 0.5098(4) 0.2077(3) 0.017(2) Uani 1 1 d . . .
C59 C 0.7417(4) 0.1525(4) 0.2275(4) 0.023(2) Uani 1 1 d . . .
C46 C 0.5696(4) 0.2298(4) 0.2097(4) 0.025(2) Uani 1 1 d . . .
H46 H 0.5808 0.1893 0.2047 0.031 Uiso 1 1 calc R . .
C29 C 0.8108(4) 0.3135(4) 0.2722(4) 0.026(2) Uani 1 1 d . . .
C18 C 0.8003(4) 0.3987(5) 0.0321(4) 0.030(2) Uani 1 1 d . . .
H18 H 0.7818 0.4372 0.0241 0.036 Uiso 1 1 calc R . .
C24 C 0.6644(4) 0.4181(4) 0.0067(4) 0.024(2) Uani 1 1 d . . .
H24 H 0.6826 0.3901 -0.0089 0.029 Uiso 1 1 calc R . .
C6 C 1.0022(4) 0.5959(4) 0.2282(4) 0.020(2) Uani 1 1 d . . .
C13 C 0.4649(4) -0.0695(4) 0.0498(3) 0.022(2) Uani 1 1 d . . .
C12 C 0.5452(4) 0.0139(4) 0.0802(3) 0.016(2) Uani 1 1 d . . .
C4 C 0.9075(4) 0.5428(4) 0.2230(3) 0.019(2) Uani 1 1 d . . .
C5 C 1.0058(4) 0.5884(4) 0.2790(3) 0.017(2) Uani 1 1 d . . .
C23 C 0.6860(4) 0.4283(4) 0.0615(4) 0.017(2) Uani 1 1 d . . .
C8 C 1.0449(4) 0.6255(4) 0.2072(4) 0.028(2) Uani 1 1 d . . .
H8A H 1.0794 0.6329 0.2359 0.043 Uiso 1 1 calc R . .
H8B H 1.0305 0.6648 0.1904 0.043 Uiso 1 1 calc R . .
H8C H 1.0522 0.5978 0.1819 0.043 Uiso 1 1 calc R . .
C40 C 0.6710(5) 0.4231(5) 0.2626(4) 0.034(3) Uani 1 1 d . . .
H40 H 0.6470 0.4111 0.2293 0.041 Uiso 1 1 calc R . .
C17 C 0.7884(4) 0.3593(4) 0.0690(4) 0.022(2) Uani 1 1 d . . .
C52 C 0.4888(5) 0.2959(4) 0.0607(4) 0.035(3) Uani 1 1 d . . .
H52 H 0.4788 0.2828 0.0895 0.041 Uiso 1 1 calc R . .
C41 C 0.5713(4) 0.2768(4) 0.1757(4) 0.024(2) Uani 1 1 d . . .
C54 C 0.7521(5) 0.1344(5) 0.0787(4) 0.034(3) Uani 1 1 d . . .
H54 H 0.7137 0.1357 0.0594 0.041 Uiso 1 1 calc R . .
C26 C 0.5903(4) 0.4924(5) -0.0008(4) 0.030(2) Uani 1 1 d . . .
H26 H 0.5585 0.5143 -0.0217 0.037 Uiso 1 1 calc R . .
C39 C 0.6503(6) 0.4596(6) 0.2965(5) 0.049(3) Uani 1 1 d . . .
H39 H 0.6129 0.4734 0.2849 0.058 Uiso 1 1 calc R . .
C27 C 0.6108(5) 0.5028(5) 0.0523(4) 0.037(3) Uani 1 1 d . . .
H27 H 0.5930 0.5316 0.0677 0.045 Uiso 1 1 calc R . .
C30 C 0.8498(4) 0.2954(5) 0.2501(5) 0.037(3) Uani 1 1 d . . .
H30 H 0.8493 0.3122 0.2179 0.045 Uiso 1 1 calc R . .
C56 C 0.8472(6) 0.1125(5) 0.0835(6) 0.049(4) Uani 1 1 d . . .
H56 H 0.8731 0.0986 0.0679 0.058 Uiso 1 1 calc R . .
C45 C 0.5508(6) 0.2427(5) 0.2522(5) 0.045(3) Uani 1 1 d . . .
H45 H 0.5498 0.2107 0.2756 0.054 Uiso 1 1 calc R . .
C49 C 0.5166(6) 0.3347(5) -0.0247(4) 0.048(3) Uani 1 1 d . . .
H49 H 0.5256 0.3474 -0.0541 0.058 Uiso 1 1 calc R . .
C35 C 0.7275(4) 0.4055(4) 0.2796(4) 0.024(2) Uani 1 1 d . . .
C48 C 0.5598(5) 0.3138(5) 0.0205(4) 0.043(3) Uani 1 1 d . . .
H48 H 0.5972 0.3131 0.0216 0.051 Uiso 1 1 calc R . .
C42 C 0.5546(5) 0.3373(5) 0.1843(4) 0.035(3) Uani 1 1 d . . .
H42 H 0.5562 0.3699 0.1616 0.042 Uiso 1 1 calc R . .
C25 C 0.6167(4) 0.4491(5) -0.0243(4) 0.033(3) Uani 1 1 d . . .
H25 H 0.6021 0.4413 -0.0605 0.040 Uiso 1 1 calc R . .
C7 C 1.0537(4) 0.6078(4) 0.3271(4) 0.025(2) Uani 1 1 d . . .
H7A H 1.0842 0.6235 0.3166 0.037 Uiso 1 1 calc R . .
H7B H 1.0665 0.5722 0.3500 0.037 Uiso 1 1 calc R . .
H7C H 1.0412 0.6402 0.3455 0.037 Uiso 1 1 calc R . .
C64 C 0.7163(5) 0.1779(5) 0.2612(4) 0.036(3) Uani 1 1 d . . .
H64 H 0.6913 0.2113 0.2495 0.043 Uiso 1 1 calc R . .
C44 C 0.5338(5) 0.3024(5) 0.2595(5) 0.043(3) Uani 1 1 d . . .
H44 H 0.5207 0.3104 0.2875 0.052 Uiso 1 1 calc R . .
C28 C 0.6579(5) 0.4705(4) 0.0832(4) 0.029(2) Uani 1 1 d . . .
H28 H 0.6711 0.4772 0.1196 0.035 Uiso 1 1 calc R . .
C19 C 0.8378(5) 0.3826(5) 0.0079(4) 0.032(3) Uani 1 1 d . . .
H19 H 0.8444 0.4095 -0.0168 0.039 Uiso 1 1 calc R . .
C15 C 0.4057(4) -0.0929(5) 0.0300(4) 0.031(3) Uani 1 1 d . . .
H15A H 0.4055 -0.1364 0.0205 0.046 Uiso 1 1 calc R . .
H15B H 0.3844 -0.0689 -0.0005 0.046 Uiso 1 1 calc R . .
H15C H 0.3891 -0.0884 0.0573 0.046 Uiso 1 1 calc R . .
C36 C 0.7621(5) 0.4230(5) 0.3304(4) 0.038(3) Uani 1 1 d . . .
H36 H 0.8000 0.4113 0.3423 0.046 Uiso 1 1 calc R . .
C60 C 0.7785(5) 0.1022(4) 0.2453(4) 0.031(3) Uani 1 1 d . . .
H60 H 0.7941 0.0825 0.2224 0.038 Uiso 1 1 calc R . .
C37 C 0.7406(6) 0.4574(6) 0.3632(5) 0.046(3) Uani 1 1 d . . .
H37 H 0.7641 0.4687 0.3968 0.055 Uiso 1 1 calc R . .
C43 C 0.5358(5) 0.3492(6) 0.2265(5) 0.045(3) Uani 1 1 d . . .
H43 H 0.5245 0.3896 0.2319 0.054 Uiso 1 1 calc R . .
C16 C 0.5187(5) -0.1726(4) 0.0607(4) 0.034(3) Uani 1 1 d . . .
H16A H 0.5331 -0.1891 0.0961 0.051 Uiso 1 1 calc R . .
H16B H 0.5442 -0.1826 0.0421 0.051 Uiso 1 1 calc R . .
H16C H 0.4823 -0.1907 0.0426 0.051 Uiso 1 1 calc R . .
C57 C 0.8655(6) 0.1314(5) 0.1343(6) 0.052(4) Uani 1 1 d . . .
H57 H 0.9039 0.1301 0.1536 0.063 Uiso 1 1 calc R . .
C50 C 0.4624(5) 0.3366(4) -0.0264(4) 0.039(3) Uani 1 1 d . . .
H50 H 0.4347 0.3517 -0.0567 0.047 Uiso 1 1 calc R . .
C51 C 0.4473(5) 0.3172(5) 0.0151(5) 0.041(3) Uani 1 1 d . . .
H51 H 0.4096 0.3180 0.0132 0.049 Uiso 1 1 calc R . .
C61 C 0.7920(5) 0.0814(5) 0.2973(5) 0.045(3) Uani 1 1 d . . .
H61 H 0.8188 0.0499 0.3100 0.054 Uiso 1 1 calc R . .
C38 C 0.6856(7) 0.4746(5) 0.3466(5) 0.052(4) Uani 1 1 d . . .
H38 H 0.6715 0.4968 0.3694 0.062 Uiso 1 1 calc R . .
C22 C 0.8162(5) 0.3020(5) 0.0806(5) 0.037(3) Uani 1 1 d . . .
H22 H 0.8078 0.2739 0.1035 0.045 Uiso 1 1 calc R . .
C58 C 0.8282(5) 0.1524(5) 0.1578(5) 0.036(3) Uani 1 1 d . . .
H58 H 0.8416 0.1665 0.1926 0.043 Uiso 1 1 calc R . .
C55 C 0.7900(6) 0.1135(5) 0.0539(5) 0.046(3) Uani 1 1 d . . .
H55 H 0.7772 0.1006 0.0187 0.055 Uiso 1 1 calc R . .
C20 C 0.8659(5) 0.3265(5) 0.0201(5) 0.038(3) Uani 1 1 d . . .
H20 H 0.8911 0.3149 0.0031 0.046 Uiso 1 1 calc R . .
C63 C 0.7269(6) 0.1553(6) 0.3122(4) 0.045(3) Uani 1 1 d . . .
H63 H 0.7084 0.1721 0.3340 0.054 Uiso 1 1 calc R . .
C34 C 0.8120(5) 0.2877(5) 0.3207(5) 0.045(3) Uani 1 1 d . . .
H34 H 0.7852 0.2992 0.3360 0.054 Uiso 1 1 calc R . .
C62 C 0.7656(6) 0.1074(6) 0.3297(5) 0.048(3) Uani 1 1 d . . .
H62 H 0.7741 0.0925 0.3641 0.057 Uiso 1 1 calc R . .
Ag2 Ag 0.19805(3) 0.21647(3) 0.13847(3) 0.0258(2) Uani 1 1 d . . .
P7 P 0.23278(11) 0.12738(11) 0.09935(9) 0.0191(5) Uiso 1 1 d . . .
S9 S 0.02571(11) 0.36118(10) 0.07582(10) 0.0237(6) Uani 1 1 d . . .
P5 P 0.09589(11) 0.23964(11) 0.11385(9) 0.0179(5) Uiso 1 1 d . . .
S16 S 0.43489(11) -0.04868(11) 0.29136(9) 0.0234(6) Uani 1 1 d . . .
P8 P 0.24697(12) 0.16385(12) 0.22580(10) 0.0269(6) Uiso 1 1 d . . .
S14 S 0.31676(12) 0.03979(12) 0.25539(10) 0.0277(6) Uani 1 1 d . . .
P6 P 0.20888(12) 0.33293(12) 0.13687(11) 0.0285(6) Uiso 1 1 d . . .
S12 S 0.04616(13) 0.56667(11) 0.07485(11) 0.0332(7) Uani 1 1 d . . .
S11 S -0.05433(13) 0.48781(11) 0.05134(10) 0.0306(6) Uani 1 1 d . . .
S13 S 0.30455(12) 0.01122(11) 0.14485(10) 0.0282(6) Uani 1 1 d . . .
S15 S 0.41735(12) -0.06775(12) 0.17861(10) 0.0305(6) Uani 1 1 d . . .
S10 S 0.12553(13) 0.44229(11) 0.09927(11) 0.0333(7) Uani 1 1 d . . .
C67 C 0.0917(4) 0.3242(4) 0.1030(4) 0.020(2) Uani 1 1 d . . .
C66 C 0.1372(4) 0.3617(4) 0.1134(4) 0.026(2) Uani 1 1 d . . .
C69 C 0.0185(5) 0.4899(4) 0.0699(4) 0.031(3) Uani 1 1 d . . .
C89 C -0.0141(4) 0.2062(4) 0.0498(4) 0.025(2) Uani 1 1 d . . .
H89 H -0.0264 0.2218 0.0765 0.030 Uiso 1 1 calc R . .
C79 C 0.4842(4) -0.0867(4) 0.2229(4) 0.026(2) Uani 1 1 d . . .
C82 C 0.0651(4) 0.2257(4) 0.1653(3) 0.018(2) Uani 1 1 d . . .
C71 C -0.0648(5) 0.5703(4) 0.0508(4) 0.035(3) Uani 1 1 d . . .
C75 C 0.2714(4) 0.0801(4) 0.1559(4) 0.022(2) Uani 1 1 d . . .
C94 C 0.2408(5) 0.3745(5) 0.0931(4) 0.032(3) Uani 1 1 d . . .
C111 C 0.1616(4) 0.0715(4) 0.0054(4) 0.024(2) Uani 1 1 d . . .
H111 H 0.1809 0.0950 -0.0123 0.028 Uiso 1 1 calc R . .
C90 C -0.0528(4) 0.1814(4) 0.0052(4) 0.028(2) Uani 1 1 d . . .
H90 H -0.0908 0.1796 0.0018 0.033 Uiso 1 1 calc R . .
C88 C 0.0431(4) 0.2084(4) 0.0561(3) 0.018(2) Uani 1 1 d . . .
C78 C 0.4927(4) -0.0787(4) 0.2750(4) 0.024(2) Uani 1 1 d . . .
C106 C 0.1788(4) 0.0736(4) 0.0613(4) 0.020(2) Uani 1 1 d . . .
C93 C 0.0598(4) 0.1857(4) 0.0136(4) 0.026(2) Uani 1 1 d . . .
H93 H 0.0976 0.1879 0.0160 0.031 Uiso 1 1 calc R . .
C91 C -0.0347(5) 0.1589(4) -0.0351(4) 0.028(2) Uani 1 1 d . . .
H91 H -0.0611 0.1424 -0.0655 0.034 Uiso 1 1 calc R . .
C68 C 0.0515(5) 0.4394(4) 0.0805(4) 0.025(2) Uani 1 1 d . . .
C83 C 0.0595(4) 0.2722(4) 0.1996(4) 0.028(2) Uani 1 1 d . . .
H83 H 0.0688 0.3136 0.1949 0.033 Uiso 1 1 calc R . .
C95 C 0.2540(5) 0.4392(5) 0.0985(5) 0.042(3) Uani 1 1 d . . .
H95 H 0.2489 0.4622 0.1260 0.050 Uiso 1 1 calc R . .
C100 C 0.2375(4) 0.3668(4) 0.2039(4) 0.027(2) Uani 1 1 d . . .
C110 C 0.1168(5) 0.0351(5) -0.0226(4) 0.036(3) Uani 1 1 d . . .
H110 H 0.1064 0.0328 -0.0593 0.043 Uiso 1 1 calc R . .
C118 C 0.3090(4) 0.2036(4) 0.2700(4) 0.027(2) Uani 1 1 d . . .
C76 C 0.3451(4) 0.0013(4) 0.2115(4) 0.024(2) Uani 1 1 d . . .
C101 C 0.2054(6) 0.3560(5) 0.2367(5) 0.044(3) Uani 1 1 d . . .
H101 H 0.1694 0.3384 0.2236 0.053 Uiso 1 1 calc R . .
C70 C -0.0192(5) 0.6054(4) 0.0613(4) 0.033(3) Uani 1 1 d . . .
C92 C 0.0205(5) 0.1606(4) -0.0311(4) 0.025(2) Uani 1 1 d . . .
H92 H 0.0319 0.1449 -0.0583 0.031 Uiso 1 1 calc R . .
C87 C 0.0520(4) 0.1641(4) 0.1747(4) 0.026(2) Uani 1 1 d . . .
H87 H 0.0566 0.1318 0.1530 0.031 Uiso 1 1 calc R . .
C129 C 0.1855(6) 0.0797(5) 0.2639(4) 0.044(3) Uani 1 1 d . . .
H129 H 0.1915 0.0512 0.2400 0.052 Uiso 1 1 calc R . .
C81 C 0.5253(5) -0.1118(5) 0.1985(4) 0.036(3) Uani 1 1 d . . .
H81A H 0.5625 -0.1122 0.2244 0.055 Uiso 1 1 calc R . .
H81B H 0.5251 -0.0857 0.1692 0.055 Uiso 1 1 calc R . .
H81C H 0.5147 -0.1539 0.1861 0.055 Uiso 1 1 calc R . .
C77 C 0.3915(5) -0.0331(5) 0.2256(4) 0.028(2) Uani 1 1 d . . .
C109 C 0.0870(5) 0.0016(4) 0.0035(4) 0.032(3) Uani 1 1 d . . .
H109 H 0.0566 -0.0230 -0.0159 0.038 Uiso 1 1 calc R . .
C105 C 0.2891(5) 0.3939(5) 0.2233(5) 0.037(3) Uani 1 1 d . . .
H105 H 0.3099 0.4006 0.2009 0.045 Uiso 1 1 calc R . .
C107 C 0.1476(4) 0.0408(4) 0.0869(4) 0.026(2) Uani 1 1 d . . .
H107 H 0.1572 0.0431 0.1235 0.031 Uiso 1 1 calc R . .
C108 C 0.1012(5) 0.0040(5) 0.0571(4) 0.033(3) Uani 1 1 d . . .
H108 H 0.0805 -0.0187 0.0740 0.040 Uiso 1 1 calc R . .
C80 C 0.5441(4) -0.0976(5) 0.3199(4) 0.029(2) Uani 1 1 d . . .
H80A H 0.5361 -0.1351 0.3361 0.043 Uiso 1 1 calc R . .
H80B H 0.5545 -0.0644 0.3456 0.043 Uiso 1 1 calc R . .
H80C H 0.5747 -0.1056 0.3068 0.043 Uiso 1 1 calc R . .
C84 C 0.0401(5) 0.2569(5) 0.2405(5) 0.040(3) Uani 1 1 d . . .
H84 H 0.0365 0.2881 0.2634 0.048 Uiso 1 1 calc R . .
C104 C 0.3113(5) 0.4115(5) 0.2751(5) 0.046(3) Uani 1 1 d . . .
H104 H 0.3468 0.4302 0.2876 0.055 Uiso 1 1 calc R . .
C128 C 0.1522(5) 0.0600(5) 0.2956(4) 0.038(3) Uani 1 1 d . . .
H128 H 0.1381 0.0192 0.2933 0.046 Uiso 1 1 calc R . .
C112 C 0.2836(4) 0.1350(5) 0.0653(4) 0.028(2) Uani 1 1 d . . .
C113 C 0.2954(5) 0.0867(5) 0.0341(4) 0.035(3) Uani 1 1 d . . .
H113 H 0.2748 0.0495 0.0278 0.043 Uiso 1 1 calc R . .
C117 C 0.3161(5) 0.1878(5) 0.0748(5) 0.040(3) Uani 1 1 d . . .
H117 H 0.3095 0.2197 0.0958 0.048 Uiso 1 1 calc R . .
C86 C 0.0325(5) 0.1504(5) 0.2152(4) 0.033(3) Uani 1 1 d . . .
H86 H 0.0234 0.1091 0.2202 0.039 Uiso 1 1 calc R . .
C73 C -0.1247(6) 0.5902(5) 0.0379(4) 0.045(3) Uani 1 1 d . . .
H73A H -0.1268 0.6353 0.0374 0.068 Uiso 1 1 calc R . .
H73B H -0.1393 0.5742 0.0643 0.068 Uiso 1 1 calc R . .
H73C H -0.1467 0.5740 0.0038 0.068 Uiso 1 1 calc R . .
C98 C 0.2693(5) 0.3720(5) 0.0174(5) 0.041(3) Uani 1 1 d . . .
H98 H 0.2749 0.3483 -0.0096 0.049 Uiso 1 1 calc R . .
C96 C 0.2750(5) 0.4687(6) 0.0621(5) 0.047(3) Uani 1 1 d . . .
H96 H 0.2836 0.5114 0.0651 0.056 Uiso 1 1 calc R . .
C74 C 0.2768(4) 0.0930(4) 0.2067(4) 0.023(2) Uani 1 1 d . . .
C122 C 0.3854(5) 0.2753(5) 0.2783(5) 0.045(3) Uani 1 1 d . . .
H122 H 0.4053 0.3005 0.2622 0.054 Uiso 1 1 calc R . .
C124 C 0.2080(5) 0.1369(5) 0.2673(4) 0.035(3) Uani 1 1 d . . .
C99 C 0.2468(5) 0.3432(5) 0.0534(4) 0.039(3) Uani 1 1 d . . .
H99 H 0.2361 0.3011 0.0487 0.047 Uiso 1 1 calc R . .
C72 C -0.0160(6) 0.6757(5) 0.0620(4) 0.045(3) Uani 1 1 d . . .
H72A H -0.0534 0.6929 0.0481 0.068 Uiso 1 1 calc R . .
H72B H 0.0058 0.6893 0.0406 0.068 Uiso 1 1 calc R . .
H72C H 0.0017 0.6900 0.0977 0.068 Uiso 1 1 calc R . .
C126 C 0.1614(7) 0.1634(8) 0.3307(6) 0.073(5) Uani 1 1 d . . .
H126 H 0.1530 0.1923 0.3529 0.088 Uiso 1 1 calc R . .
C114 C 0.3379(6) 0.0959(6) 0.0134(5) 0.049(3) Uani 1 1 d . . .
H114 H 0.3448 0.0647 -0.0080 0.059 Uiso 1 1 calc R . .
C97 C 0.2827(5) 0.4336(6) 0.0217(5) 0.045(3) Uani 1 1 d . . .
H97 H 0.2972 0.4524 -0.0024 0.054 Uiso 1 1 calc R . .
C119 C 0.3274(5) 0.1969(6) 0.3244(4) 0.044(3) Uani 1 1 d . . .
H119 H 0.3085 0.1705 0.3406 0.052 Uiso 1 1 calc R . .
C103 C 0.2805(5) 0.4013(5) 0.3097(5) 0.047(3) Uani 1 1 d . . .
H103 H 0.2949 0.4138 0.3450 0.057 Uiso 1 1 calc R . .
C123 C 0.3392(5) 0.2427(5) 0.2485(4) 0.037(3) Uani 1 1 d . . .
H123 H 0.3274 0.2471 0.2119 0.044 Uiso 1 1 calc R . .
C85 C 0.0261(5) 0.1954(5) 0.2479(4) 0.033(3) Uani 1 1 d . . .
H85 H 0.0124 0.1854 0.2752 0.040 Uiso 1 1 calc R . .
C115 C 0.3697(6) 0.1471(8) 0.0227(5) 0.057(4) Uani 1 1 d . . .
H115 H 0.3988 0.1512 0.0086 0.068 Uiso 1 1 calc R . .
C102 C 0.2292(5) 0.3728(5) 0.2905(5) 0.046(3) Uani 1 1 d . . .
H102 H 0.2094 0.3642 0.3135 0.055 Uiso 1 1 calc R . .
C127 C 0.1424(6) 0.1014(7) 0.3280(5) 0.055(4) Uani 1 1 d . . .
H127 H 0.1221 0.0891 0.3498 0.066 Uiso 1 1 calc R . .
C116 C 0.3592(5) 0.1942(7) 0.0533(6) 0.059(4) Uani 1 1 d . . .
H116 H 0.3810 0.2305 0.0597 0.071 Uiso 1 1 calc R . .
C121 C 0.4021(5) 0.2703(5) 0.3315(5) 0.050(4) Uani 1 1 d . . .
H121 H 0.4322 0.2943 0.3525 0.060 Uiso 1 1 calc R . .
C120 C 0.3747(6) 0.2302(6) 0.3545(5) 0.059(4) Uani 1 1 d . . .
H120 H 0.3880 0.2252 0.3911 0.071 Uiso 1 1 calc R . .
C125 C 0.1931(6) 0.1808(6) 0.2995(5) 0.055(4) Uani 1 1 d . . .
H125 H 0.2047 0.2224 0.2998 0.066 Uiso 1 1 calc R . .
P10 P 0.01636(13) 0.95960(13) 0.16755(12) 0.0337(7) Uani 1 1 d . . .
P9 P -0.03164(15) 1.05696(16) 0.33328(12) 0.0461(8) Uani 1 1 d . . .
F12 F 0.0684(3) 1.0077(3) 0.1843(3) 0.056(2) Uani 1 1 d . . .
F9 F -0.0345(3) 0.9116(3) 0.1492(3) 0.061(2) Uani 1 1 d . . .
F1 F -0.0653(3) 1.0899(3) 0.2788(3) 0.061(2) Uani 1 1 d . . .
F7 F -0.0094(4) 0.9994(5) 0.1160(4) 0.126(5) Uani 1 1 d . . .
F10 F 0.0448(3) 0.9217(4) 0.2200(3) 0.067(2) Uani 1 1 d . . .
F4 F 0.0012(4) 1.0238(4) 0.3886(3) 0.083(3) Uani 1 1 d . . .
F5 F -0.0736(4) 1.0830(3) 0.3602(3) 0.073(2) Uani 1 1 d . . .
F3 F -0.0685(4) 0.9952(3) 0.3175(3) 0.087(3) Uani 1 1 d . . .
F8 F 0.0514(4) 0.9196(4) 0.1392(3) 0.078(3) Uani 1 1 d . . .
F6 F 0.0058(4) 1.1174(4) 0.3513(3) 0.099(3) Uani 1 1 d . . .
F11 F -0.0167(4) 0.9996(4) 0.1956(5) 0.116(4) Uani 1 1 d . . .
C132 C 0.8450(7) 0.8203(7) 0.1259(6) 0.085(5) Uiso 1 1 d D . .
H13A H 0.8806 0.8420 0.1371 0.128 Uiso 1 1 calc R . .
H13B H 0.8427 0.7936 0.1540 0.128 Uiso 1 1 calc R . .
H13C H 0.8147 0.8504 0.1174 0.128 Uiso 1 1 calc R . .
N1 N 0.8341(7) 0.7584(8) 0.0395(6) 0.116(6) Uiso 1 1 d D . .
C131 C 0.8403(8) 0.7827(8) 0.0798(6) 0.087(5) Uiso 1 1 d D . .
C133 C 0.3972(7) 0.3586(7) 0.1431(7) 0.083(3) Uiso 1 1 d D . .
F2 F 0.0114(5) 1.0321(5) 0.3089(4) 0.119(4) Uani 1 1 d . . .
C32 C 0.8928(6) 0.2267(6) 0.3232(7) 0.064(5) Uani 1 1 d . . .
H32 H 0.9207 0.1977 0.3402 0.077 Uiso 1 1 calc R . .
C33 C 0.8544(6) 0.2442(6) 0.3455(6) 0.059(4) Uani 1 1 d . . .
H33 H 0.8560 0.2272 0.3779 0.071 Uiso 1 1 calc R . .
C31 C 0.8907(6) 0.2510(6) 0.2764(7) 0.062(4) Uani 1 1 d . . .
H31 H 0.9171 0.2381 0.2611 0.075 Uiso 1 1 calc R . .
N2 N 0.3802(6) 0.3079(6) 0.1457(5) 0.083(3) Uiso 1 1 d D . .
C134 C 0.4190(7) 0.4206(6) 0.1398(6) 0.083(3) Uiso 1 1 d D . .
H13D H 0.3897 0.4460 0.1162 0.124 Uiso 1 1 calc R . .
H13E H 0.4501 0.4176 0.1266 0.124 Uiso 1 1 calc R . .
H13F H 0.4316 0.4395 0.1743 0.124 Uiso 1 1 calc R . .
N3 N 0.6647(8) 0.2502(8) -0.0313(7) 0.119(6) Uiso 1 1 d D . .
C136 C 0.7470(11) 0.2113(14) -0.0684(11) 0.201(13) Uiso 1 1 d D . .
H13G H 0.7420 0.1670 -0.0752 0.301 Uiso 1 1 calc R . .
H13H H 0.7844 0.2190 -0.0440 0.301 Uiso 1 1 calc R . .
H13I H 0.7422 0.2332 -0.1009 0.301 Uiso 1 1 calc R . .
C135 C 0.7039(13) 0.2345(17) -0.0446(15) 0.227(16) Uiso 1 1 d 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'
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'
S S 0.1246 0.1234 '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'
N N 0.0061 0.0033 '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
P3 Ag1 P1 124.54(8) . . ?
P3 Ag1 P4 85.64(8) . . ?
P1 Ag1 P4 126.39(9) . . ?
P3 Ag1 P2 126.09(9) . . ?
P1 Ag1 P2 85.93(9) . . ?
P4 Ag1 P2 112.40(8) . . ?
C47 P3 C41 104.5(5) . . ?
C47 P3 C9 103.7(4) . . ?
C41 P3 C9 104.3(4) . . ?
C47 P3 Ag1 127.3(3) . . ?
C41 P3 Ag1 111.8(3) . . ?
C9 P3 Ag1 102.8(3) . . ?
C9 S6 C11 95.3(4) . . ?
C35 P2 C1 102.3(4) . . ?
C35 P2 C29 106.9(5) . . ?
C1 P2 C29 102.5(4) . . ?
C35 P2 Ag1 132.5(3) . . ?
C1 P2 Ag1 102.3(3) . . ?
C29 P2 Ag1 106.6(3) . . ?
C12 S8 C14 95.4(4) . . ?
C11 S5 C10 95.6(4) . . ?
C1 S2 C3 94.5(4) . . ?
C2 S1 C3 94.2(4) . . ?
C10 P4 C53 105.2(4) . . ?
C10 P4 C59 101.6(4) . . ?
C53 P4 C59 107.1(5) . . ?
C10 P4 Ag1 102.5(3) . . ?
C53 P4 Ag1 119.4(3) . . ?
C59 P4 Ag1 118.4(3) . . ?
C23 P1 C17 106.6(4) . . ?
C23 P1 C2 104.7(4) . . ?
C17 P1 C2 102.7(4) . . ?
C23 P1 Ag1 111.6(3) . . ?
C17 P1 Ag1 124.8(3) . . ?
C2 P1 Ag1 104.3(3) . . ?
C12 S7 C13 96.1(4) . . ?
C4 S4 C5 95.7(4) . . ?
C4 S3 C6 95.3(5) . . ?
C9 C10 S5 116.9(7) . . ?
C9 C10 P4 123.3(6) . . ?
S5 C10 P4 119.5(5) . . ?
C10 C9 S6 117.5(6) . . ?
C10 C9 P3 123.8(6) . . ?
S6 C9 P3 118.7(5) . . ?
C2 C1 S2 116.6(6) . . ?
C2 C1 P2 125.1(6) . . ?
S2 C1 P2 118.3(5) . . ?
C1 C2 S1 117.4(6) . . ?
C1 C2 P1 122.3(6) . . ?
S1 C2 P1 120.3(5) . . ?
C54 C53 C58 118.0(10) . . ?
C54 C53 P4 122.9(8) . . ?
C58 C53 P4 118.7(8) . . ?
C48 C47 C52 119.5(9) . . ?
C48 C47 P3 118.1(8) . . ?
C52 C47 P3 122.4(8) . . ?
C20 C21 C22 119.8(11) . . ?
C12 C11 S5 123.6(7) . . ?
C12 C11 S6 121.9(7) . . ?
S5 C11 S6 114.5(5) . . ?
C13 C14 C16 127.1(9) . . ?
C13 C14 S8 117.3(7) . . ?
C16 C14 S8 115.6(8) . . ?
C4 C3 S2 122.5(7) . . ?
C4 C3 S1 123.4(7) . . ?
S2 C3 S1 114.1(5) . . ?
C64 C59 C60 118.5(9) . . ?
C64 C59 P4 116.8(8) . . ?
C60 C59 P4 124.6(8) . . ?
C41 C46 C45 119.7(9) . . ?
C30 C29 C34 119.8(10) . . ?
C30 C29 P2 118.4(8) . . ?
C34 C29 P2 121.1(9) . . ?
C19 C18 C17 122.2(10) . . ?
C25 C24 C23 120.9(9) . . ?
C5 C6 C8 127.7(9) . . ?
C5 C6 S3 117.6(7) . . ?
C8 C6 S3 114.4(7) . . ?
C14 C13 C15 128.5(8) . . ?
C14 C13 S7 116.5(7) . . ?
C15 C13 S7 115.1(7) . . ?
C11 C12 S7 122.6(7) . . ?
C11 C12 S8 122.6(7) . . ?
S7 C12 S8 114.7(5) . . ?
C3 C4 S3 123.9(7) . . ?
C3 C4 S4 122.1(7) . . ?
S3 C4 S4 114.0(5) . . ?
C6 C5 C7 127.1(9) . . ?
C6 C5 S4 116.2(7) . . ?
C7 C5 S4 116.6(7) . . ?
C28 C23 C24 117.8(8) . . ?
C28 C23 P1 119.6(7) . . ?
C24 C23 P1 121.7(7) . . ?
C35 C40 C39 119.4(11) . . ?
C22 C17 C18 118.3(9) . . ?
C22 C17 P1 116.8(8) . . ?
C18 C17 P1 124.9(7) . . ?
C51 C52 C47 120.4(11) . . ?
C46 C41 C42 119.2(9) . . ?
C46 C41 P3 124.7(8) . . ?
C42 C41 P3 115.7(8) . . ?
C53 C54 C55 121.8(12) . . ?
C27 C26 C25 120.4(10) . . ?
C38 C39 C40 119.7(12) . . ?
C26 C27 C28 119.8(10) . . ?
C29 C30 C31 119.0(12) . . ?
C57 C56 C55 120.7(11) . . ?
C44 C45 C46 120.3(10) . . ?
C50 C49 C48 121.3(12) . . ?
C40 C35 C36 118.8(10) . . ?
C40 C35 P2 117.0(8) . . ?
C36 C35 P2 124.2(8) . . ?
C47 C48 C49 118.2(12) . . ?
C43 C42 C41 120.3(10) . . ?
C24 C25 C26 119.4(10) . . ?
C59 C64 C63 122.1(11) . . ?
C43 C44 C45 120.6(11) . . ?
C27 C28 C23 121.7(9) . . ?
C18 C19 C20 119.3(10) . . ?
C37 C36 C35 120.7(11) . . ?
C59 C60 C61 120.0(11) . . ?
C38 C37 C36 120.5(11) . . ?
C44 C43 C42 120.0(11) . . ?
C56 C57 C58 120.6(13) . . ?
C49 C50 C51 121.2(10) . . ?
C50 C51 C52 119.3(11) . . ?
C62 C61 C60 119.8(11) . . ?
C37 C38 C39 120.8(11) . . ?
C17 C22 C21 119.5(10) . . ?
C57 C58 C53 120.8(12) . . ?
C56 C55 C54 118.1(12) . . ?
C19 C20 C21 120.7(10) . . ?
C62 C63 C64 118.2(12) . . ?
C33 C34 C29 118.6(13) . . ?
C61 C62 C63 121.2(11) . . ?
P7 Ag2 P5 121.51(9) . . ?
P7 Ag2 P6 134.50(10) . . ?
P5 Ag2 P6 84.66(9) . . ?
P7 Ag2 P8 85.50(9) . . ?
P5 Ag2 P8 118.52(9) . . ?
P6 Ag2 P8 115.86(9) . . ?
C112 P7 C106 107.1(5) . . ?
C112 P7 C75 101.6(5) . . ?
C106 P7 C75 102.3(4) . . ?
C112 P7 Ag2 123.8(3) . . ?
C106 P7 Ag2 115.0(3) . . ?
C75 P7 Ag2 103.8(3) . . ?
C67 S9 C68 96.9(5) . . ?
C88 P5 C82 102.4(4) . . ?
C88 P5 C67 104.0(4) . . ?
C82 P5 C67 105.4(4) . . ?
C88 P5 Ag2 123.9(3) . . ?
C82 P5 Ag2 115.5(3) . . ?
C67 P5 Ag2 103.8(3) . . ?
C77 S16 C78 96.0(5) . . ?
C124 P8 C118 105.6(5) . . ?
C124 P8 C74 105.6(5) . . ?
C118 P8 C74 102.9(4) . . ?
C124 P8 Ag2 121.2(4) . . ?
C118 P8 Ag2 116.4(3) . . ?
C74 P8 Ag2 103.0(3) . . ?
C76 S14 C74 93.5(5) . . ?
C66 P6 C100 103.1(4) . . ?
C66 P6 C94 102.1(5) . . ?
C100 P6 C94 108.7(5) . . ?
C66 P6 Ag2 103.9(3) . . ?
C100 P6 Ag2 112.4(3) . . ?
C94 P6 Ag2 123.9(3) . . ?
C70 S12 C69 95.9(5) . . ?
C69 S11 C71 96.7(5) . . ?
C76 S13 C75 94.3(4) . . ?
C79 S15 C77 96.4(5) . . ?
C68 S10 C66 96.4(5) . . ?
C66 C67 S9 116.0(7) . . ?
C66 C67 P5 123.6(8) . . ?
S9 C67 P5 120.4(5) . . ?
C67 C66 S10 117.8(8) . . ?
C67 C66 P6 123.5(7) . . ?
S10 C66 P6 118.7(6) . . ?
C68 C69 S11 124.4(8) . . ?
C68 C69 S12 122.1(9) . . ?
S11 C69 S12 113.4(6) . . ?
C90 C89 C88 121.4(9) . . ?
C78 C79 C81 127.2(10) . . ?
C78 C79 S15 117.1(8) . . ?
C81 C79 S15 115.6(8) . . ?
C83 C82 C87 118.0(9) . . ?
C83 C82 P5 123.2(7) . . ?
C87 C82 P5 118.5(7) . . ?
C70 C71 C73 128.9(9) . . ?
C70 C71 S11 116.4(9) . . ?
C73 C71 S11 114.8(8) . . ?
C74 C75 S13 116.5(7) . . ?
C74 C75 P7 125.2(7) . . ?
S13 C75 P7 118.4(5) . . ?
C99 C94 C95 119.4(11) . . ?
C99 C94 P6 117.8(8) . . ?
C95 C94 P6 122.6(9) . . ?
C110 C111 C106 120.4(9) . . ?
C89 C90 C91 119.5(10) . . ?
C89 C88 C93 117.4(8) . . ?
C89 C88 P5 123.6(7) . . ?
C93 C88 P5 119.0(7) . . ?
C79 C78 C80 126.3(9) . . ?
C79 C78 S16 116.2(8) . . ?
C80 C78 S16 117.2(7) . . ?
C107 C106 C111 119.0(9) . . ?
C107 C106 P7 118.6(7) . . ?
C111 C106 P7 121.6(7) . . ?
C92 C93 C88 120.6(10) . . ?
C92 C91 C90 121.4(9) . . ?
C69 C68 S10 123.9(8) . . ?
C69 C68 S9 123.8(9) . . ?
S10 C68 S9 112.3(5) . . ?
C84 C83 C82 119.8(9) . . ?
C96 C95 C94 119.8(12) . . ?
C105 C100 C101 120.4(11) . . ?
C105 C100 P6 123.6(9) . . ?
C101 C100 P6 115.5(8) . . ?
C111 C110 C109 119.9(10) . . ?
C123 C118 C119 118.0(10) . . ?
C123 C118 P8 118.7(8) . . ?
C119 C118 P8 123.4(9) . . ?
C77 C76 S13 121.0(8) . . ?
C77 C76 S14 125.5(7) . . ?
S13 C76 S14 113.4(6) . . ?
C100 C101 C102 117.7(11) . . ?
C71 C70 C72 127.6(11) . . ?
C71 C70 S12 117.5(7) . . ?
C72 C70 S12 115.0(9) . . ?
C91 C92 C93 119.6(9) . . ?
C86 C87 C82 120.9(9) . . ?
C124 C129 C128 123.0(11) . . ?
C76 C77 S15 122.0(7) . . ?
C76 C77 S16 125.4(8) . . ?
S15 C77 S16 112.6(6) . . ?
C108 C109 C110 121.4(10) . . ?
C100 C105 C104 121.5(12) . . ?
C106 C107 C108 119.6(9) . . ?
C109 C108 C107 119.6(9) . . ?
C83 C84 C85 120.8(10) . . ?
C105 C104 C103 120.0(11) . . ?
C127 C128 C129 117.8(11) . . ?
C117 C112 C113 118.5(10) . . ?
C117 C112 P7 117.3(8) . . ?
C113 C112 P7 123.8(8) . . ?
C114 C113 C112 118.7(12) . . ?
C112 C117 C116 120.2(12) . . ?
C85 C86 C87 121.5(9) . . ?
C97 C98 C99 120.7(12) . . ?
C97 C96 C95 119.2(12) . . ?
C75 C74 S14 117.1(7) . . ?
C75 C74 P8 122.5(7) . . ?
S14 C74 P8 120.4(5) . . ?
C121 C122 C123 118.8(12) . . ?
C129 C124 C125 117.0(11) . . ?
C129 C124 P8 123.7(9) . . ?
C125 C124 P8 118.6(9) . . ?
C94 C99 C98 121.2(11) . . ?
C125 C126 C127 118.6(13) . . ?
C115 C114 C113 122.9(12) . . ?
C98 C97 C96 119.7(12) . . ?
C118 C119 C120 118.6(12) . . ?
C102 C103 C104 118.5(12) . . ?
C122 C123 C118 123.1(11) . . ?
C86 C85 C84 119.1(10) . . ?
C114 C115 C116 119.1(12) . . ?
C103 C102 C101 121.7(13) . . ?
C128 C127 C126 122.0(12) . . ?
C115 C116 C117 120.5(13) . . ?
C122 C121 C120 120.1(11) . . ?
C121 C120 C119 121.4(12) . . ?
C126 C125 C124 121.2(13) . . ?
F11 P10 F7 90.0(7) . . ?
F11 P10 F10 90.3(6) . . ?
F7 P10 F10 177.3(5) . . ?
F11 P10 F9 89.9(5) . . ?
F7 P10 F9 91.3(4) . . ?
F10 P10 F9 91.4(4) . . ?
F11 P10 F8 178.8(5) . . ?
F7 P10 F8 89.9(6) . . ?
F10 P10 F8 89.7(5) . . ?
F9 P10 F8 91.4(4) . . ?
F11 P10 F12 91.8(4) . . ?
F7 P10 F12 87.6(4) . . ?
F10 P10 F12 89.7(4) . . ?
F9 P10 F12 178.0(5) . . ?
F8 P10 F12 86.9(4) . . ?
F2 P9 F5 177.8(6) . . ?
F2 P9 F6 88.8(7) . . ?
F5 P9 F6 89.7(5) . . ?
F2 P9 F3 91.8(6) . . ?
F5 P9 F3 89.7(5) . . ?
F6 P9 F3 177.8(5) . . ?
F2 P9 F1 89.7(5) . . ?
F5 P9 F1 92.0(5) . . ?
F6 P9 F1 90.1(5) . . ?
F3 P9 F1 92.1(4) . . ?
F2 P9 F4 91.4(5) . . ?
F5 P9 F4 86.9(5) . . ?
F6 P9 F4 90.3(5) . . ?
F3 P9 F4 87.5(5) . . ?
F1 P9 F4 178.8(5) . . ?
N1 C131 C132 172(2) . . ?
N2 C133 C134 179(2) . . ?
C31 C32 C33 119.9(13) . . ?
C32 C33 C34 121.0(13) . . ?
C32 C31 C30 121.6(14) . . ?
N3 C135 C136 172(4) . . ?
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 P3 2.457(3) . ?
Ag1 P1 2.459(3) . ?
Ag1 P4 2.494(3) . ?
Ag1 P2 2.498(3) . ?
P3 C47 1.812(9) . ?
P3 C41 1.828(10) . ?
P3 C9 1.831(8) . ?
S6 C9 1.748(9) . ?
S6 C11 1.763(8) . ?
P2 C35 1.805(10) . ?
P2 C1 1.818(9) . ?
P2 C29 1.826(10) . ?
S8 C12 1.754(9) . ?
S8 C14 1.763(10) . ?
S5 C11 1.751(8) . ?
S5 C10 1.754(8) . ?
S2 C1 1.753(8) . ?
S2 C3 1.755(9) . ?
S1 C2 1.750(8) . ?
S1 C3 1.759(9) . ?
P4 C10 1.814(9) . ?
P4 C53 1.817(10) . ?
P4 C59 1.821(10) . ?
P1 C23 1.810(9) . ?
P1 C17 1.814(10) . ?
P1 C2 1.819(8) . ?
S7 C12 1.733(10) . ?
S7 C13 1.768(9) . ?
S4 C4 1.757(9) . ?
S4 C5 1.763(9) . ?
S3 C4 1.749(9) . ?
S3 C6 1.761(9) . ?
C10 C9 1.352(12) . ?
C1 C2 1.358(12) . ?
C53 C54 1.356(14) . ?
C53 C58 1.400(14) . ?
C47 C48 1.386(14) . ?
C47 C52 1.393(14) . ?
C21 C20 1.386(15) . ?
C21 C22 1.398(15) . ?
C11 C12 1.353(11) . ?
C14 C13 1.340(14) . ?
C14 C16 1.495(12) . ?
C3 C4 1.347(12) . ?
C59 C64 1.377(14) . ?
C59 C60 1.389(13) . ?
C46 C41 1.363(13) . ?
C46 C45 1.395(14) . ?
C29 C30 1.359(15) . ?
C29 C34 1.400(14) . ?
C18 C19 1.356(14) . ?
C18 C17 1.401(13) . ?
C24 C25 1.376(13) . ?
C24 C23 1.401(12) . ?
C6 C5 1.345(12) . ?
C6 C8 1.505(13) . ?
C13 C15 1.486(14) . ?
C5 C7 1.497(12) . ?
C23 C28 1.386(13) . ?
C40 C35 1.389(14) . ?
C40 C39 1.420(15) . ?
C17 C22 1.387(14) . ?
C52 C51 1.390(14) . ?
C41 C42 1.397(13) . ?
C54 C55 1.402(15) . ?
C26 C27 1.358(14) . ?
C26 C25 1.401(14) . ?
C39 C38 1.377(17) . ?
C27 C28 1.380(14) . ?
C30 C31 1.399(16) . ?
C56 C57 1.345(18) . ?
C56 C55 1.390(18) . ?
C45 C44 1.374(15) . ?
C49 C50 1.348(17) . ?
C49 C48 1.400(15) . ?
C35 C36 1.398(14) . ?
C42 C43 1.387(15) . ?
C64 C63 1.386(14) . ?
C44 C43 1.344(16) . ?
C19 C20 1.369(15) . ?
C36 C37 1.384(16) . ?
C60 C61 1.392(15) . ?
C37 C38 1.351(18) . ?
C57 C58 1.368(16) . ?
C50 C51 1.353(16) . ?
C61 C62 1.371(17) . ?
C63 C62 1.378(17) . ?
C34 C33 1.398(17) . ?
Ag2 P7 2.461(3) . ?
Ag2 P5 2.474(3) . ?
Ag2 P6 2.493(3) . ?
Ag2 P8 2.513(3) . ?
P7 C112 1.805(11) . ?
P7 C106 1.806(9) . ?
P7 C75 1.807(9) . ?
S9 C67 1.757(10) . ?
S9 C68 1.773(9) . ?
P5 C88 1.796(9) . ?
P5 C82 1.817(9) . ?
P5 C67 1.818(9) . ?
S16 C77 1.766(10) . ?
S16 C78 1.768(10) . ?
P8 C124 1.802(11) . ?
P8 C118 1.821(10) . ?
P8 C74 1.830(10) . ?
S14 C76 1.765(10) . ?
S14 C74 1.765(9) . ?
P6 C66 1.804(11) . ?
P6 C100 1.843(11) . ?
P6 C94 1.850(11) . ?
S12 C70 1.762(12) . ?
S12 C69 1.762(9) . ?
S11 C69 1.728(13) . ?
S11 C71 1.773(10) . ?
S13 C76 1.749(9) . ?
S13 C75 1.756(10) . ?
S15 C79 1.748(11) . ?
S15 C77 1.758(11) . ?
S10 C68 1.757(11) . ?
S10 C66 1.759(9) . ?
C67 C66 1.343(13) . ?
C69 C68 1.327(14) . ?
C89 C90 1.369(13) . ?
C89 C88 1.389(13) . ?
C79 C78 1.353(13) . ?
C79 C81 1.491(14) . ?
C82 C83 1.388(12) . ?
C82 C87 1.394(12) . ?
C71 C70 1.317(16) . ?
C71 C73 1.488(16) . ?
C75 C74 1.351(13) . ?
C94 C99 1.307(15) . ?
C94 C95 1.413(14) . ?
C111 C110 1.365(14) . ?
C111 C106 1.412(13) . ?
C90 C91 1.387(14) . ?
C88 C93 1.421(13) . ?
C78 C80 1.496(13) . ?
C106 C107 1.390(13) . ?
C93 C92 1.380(13) . ?
C91 C92 1.354(14) . ?
C83 C84 1.381(14) . ?
C95 C96 1.400(16) . ?
C100 C105 1.352(14) . ?
C100 C101 1.397(15) . ?
C110 C109 1.380(15) . ?
C118 C123 1.373(14) . ?
C118 C119 1.382(14) . ?
C76 C77 1.320(14) . ?
C101 C102 1.410(15) . ?
C70 C72 1.496(13) . ?
C87 C86 1.361(14) . ?
C129 C124 1.332(15) . ?
C129 C128 1.437(16) . ?
C109 C108 1.361(14) . ?
C105 C104 1.364(16) . ?
C107 C108 1.408(14) . ?
C84 C85 1.385(13) . ?
C104 C103 1.408(17) . ?
C128 C127 1.318(16) . ?
C112 C117 1.361(14) . ?
C112 C113 1.417(14) . ?
C113 C114 1.370(16) . ?
C117 C116 1.391(16) . ?
C86 C85 1.344(14) . ?
C98 C97 1.348(16) . ?
C98 C99 1.409(15) . ?
C96 C97 1.381(17) . ?
C122 C121 1.350(17) . ?
C122 C123 1.358(15) . ?
C124 C125 1.404(15) . ?
C126 C125 1.383(18) . ?
C126 C127 1.395(19) . ?
C114 C115 1.324(18) . ?
C119 C120 1.386(16) . ?
C103 C102 1.358(16) . ?
C115 C116 1.375(19) . ?
C121 C120 1.364(18) . ?
P10 F11 1.546(8) . ?
P10 F7 1.564(8) . ?
P10 F10 1.570(7) . ?
P10 F9 1.580(7) . ?
P10 F8 1.587(8) . ?
P10 F12 1.601(7) . ?
P9 F2 1.531(10) . ?
P9 F5 1.561(8) . ?
P9 F6 1.570(9) . ?
P9 F3 1.579(8) . ?
P9 F1 1.585(7) . ?
P9 F4 1.599(8) . ?
C132 C131 1.443(13) . ?
N1 C131 1.161(13) . ?
C133 N2 1.169(12) . ?
C133 C134 1.442(13) . ?
C32 C31 1.34(2) . ?
C32 C33 1.35(2) . ?
N3 C135 1.200(16) . ?
C136 C135 1.509(16) . ?
