#------------------------------------------------------------------------------
#$Date: 2016-03-25 09:47:24 +0100 (vie 25 de mar de 2016) $
#$Revision: 179764 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/60/7006045.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_7006045
loop_
_publ_author_name
'Pellei, Maura'
'Alidori, Simone'
'Papini, Grazia'
'Lobbia, Giancarlo Gioia'
'Gorden, John D.'
'Dias, H. V. Rasika'
'Santini, Carlo'
_publ_section_title
;
 Silver(I)-organophosphane complexes of electron withdrawing CF3- or
 NO2-substituted scorpionate ligands.
;
_journal_issue                   42
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4845
_journal_page_last               4853
_journal_paper_doi               10.1039/b708436f
_journal_year                    2007
_chemical_formula_sum            'C26 H21 Ag B F6 N4 P'
_chemical_formula_weight         653.12
_chemical_name_common            (H2B(3-(CF3)Pz)2)AgPPh3
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                68.022(1)
_cell_angle_beta                 82.255(1)
_cell_angle_gamma                70.454(1)
_cell_formula_units_Z            4
_cell_length_a                   10.8365(6)
_cell_length_b                   15.3387(9)
_cell_length_c                   18.2405(11)
_cell_measurement_reflns_used    8176
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.35
_cell_measurement_theta_min      2.32
_cell_volume                     2649.4(3)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.970
_diffrn_measured_fraction_theta_max 0.970
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.0200
_diffrn_reflns_av_sigmaI/netI    0.0309
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            19101
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.56
_exptl_absorpt_coefficient_mu    0.887
_exptl_absorpt_correction_T_max  0.8495
_exptl_absorpt_correction_T_min  0.7135
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.637
_exptl_crystal_density_meas      0
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       blocks
_exptl_crystal_F_000             1304
_exptl_crystal_size_max          0.41
_exptl_crystal_size_mid          0.31
_exptl_crystal_size_min          0.19
_refine_diff_density_max         1.993
_refine_diff_density_min         -0.693
_refine_diff_density_rms         0.094
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     747
_refine_ls_number_reflns         10115
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.048
_refine_ls_R_factor_all          0.0416
_refine_ls_R_factor_gt           0.0378
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0553P)²+2.9065P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0971
_refine_ls_wR_factor_ref         0.1017
_reflns_number_gt                9072
_reflns_number_total             10115
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b708436f.txt
_cod_data_source_block           dias452s
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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-1
_cod_database_code               7006045
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -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 0.283618(19) 0.349125(14) 0.086548(11) 0.02484(7) Uani 1 1 d . . .
Ag2 Ag 0.80838(2) 0.360338(15) 0.579327(12) 0.02710(8) Uani 1 1 d . . .
B1 B 0.0187(3) 0.4810(3) 0.1324(2) 0.0305(7) Uani 1 1 d . . .
B2 B 0.5379(3) 0.4824(2) 0.63697(19) 0.0284(7) Uani 1 1 d . . .
N1 N 0.1065(2) 0.43594(17) 0.20622(13) 0.0255(5) Uani 1 1 d . . .
N2 N 0.2236(2) 0.36529(16) 0.20829(13) 0.0246(5) Uani 1 1 d . . .
N3 N 0.0787(2) 0.55333(17) 0.06344(14) 0.0266(5) Uani 1 1 d . . .
N4 N 0.1913(2) 0.51572(16) 0.02788(13) 0.0249(5) Uani 1 1 d . . .
N5 N 0.6354(2) 0.43811(16) 0.70660(13) 0.0232(5) Uani 1 1 d . . .
N6 N 0.7521(2) 0.36865(16) 0.70466(13) 0.0233(5) Uani 1 1 d . . .
N7 N 0.5875(2) 0.55699(17) 0.56434(14) 0.0264(5) Uani 1 1 d . . .
N8 N 0.6989(2) 0.52355(17) 0.52561(13) 0.0273(5) Uani 1 1 d . . .
P1 P 0.38062(6) 0.20707(5) 0.05173(4) 0.02022(14) Uani 1 1 d . . .
P2 P 0.89602(6) 0.21811(5) 0.54313(4) 0.02041(14) Uani 1 1 d . . .
C1 C 0.2718(3) 0.3380(2) 0.28006(16) 0.0258(6) Uani 1 1 d . . .
C2 C 0.1872(3) 0.3898(2) 0.32537(17) 0.0307(6) Uani 1 1 d . . .
H2 H 0.1984 0.3842 0.3779 0.037 Uiso 1 1 calc R . .
C3 C 0.0838(3) 0.4509(2) 0.27562(17) 0.0309(6) Uani 1 1 d . . .
H3 H 0.0081 0.4965 0.2883 0.037 Uiso 1 1 calc R . .
C4 C 0.3999(3) 0.2604(2) 0.30362(17) 0.0332(6) Uani 1 1 d . . .
C5 C 0.2171(3) 0.5945(2) -0.02872(16) 0.0290(6) Uani 1 1 d . . .
C6 C 0.1215(3) 0.6824(2) -0.02922(19) 0.0362(7) Uani 1 1 d . . .
H6 H 0.1167 0.7479 -0.0630 0.043 Uiso 1 1 calc R . .
C7 C 0.0358(3) 0.6525(2) 0.03028(18) 0.0341(7) Uani 1 1 d . . .
H7 H -0.0410 0.6949 0.0455 0.041 Uiso 1 1 calc R . .
C8 C 0.3340(3) 0.5823(2) -0.07989(18) 0.0378(7) Uani 1 1 d . . .
C9 C 0.4320(3) 0.22828(19) -0.05111(15) 0.0222(5) Uani 1 1 d . . .
C10 C 0.5501(3) 0.1717(2) -0.07339(16) 0.0266(6) Uani 1 1 d . . .
H10 H 0.6086 0.1201 -0.0342 0.032 Uiso 1 1 calc R . .
C11 C 0.5824(3) 0.1909(2) -0.15343(17) 0.0314(6) Uani 1 1 d . . .
H11 H 0.6637 0.1530 -0.1686 0.038 Uiso 1 1 calc R . .
C12 C 0.4961(3) 0.2651(2) -0.21081(17) 0.0340(7) Uani 1 1 d . . .
H12 H 0.5172 0.2767 -0.2652 0.041 Uiso 1 1 calc R . .
C13 C 0.3788(3) 0.3227(2) -0.18861(17) 0.0334(6) Uani 1 1 d . . .
H13 H 0.3200 0.3737 -0.2279 0.040 Uiso 1 1 calc R . .
C14 C 0.3477(3) 0.3056(2) -0.10924(16) 0.0279(6) Uani 1 1 d . . .
H14 H 0.2689 0.3465 -0.0943 0.033 Uiso 1 1 calc R . .
C15 C 0.2640(3) 0.13831(19) 0.06841(16) 0.0242(5) Uani 1 1 d . . .
C16 C 0.2427(3) 0.1016(2) 0.01386(17) 0.0282(6) Uani 1 1 d . . .
H16 H 0.2903 0.1119 -0.0347 0.034 Uiso 1 1 calc R . .
C17 C 0.1524(3) 0.0499(2) 0.0294(2) 0.0363(7) Uani 1 1 d . . .
H17 H 0.1376 0.0260 -0.0087 0.044 Uiso 1 1 calc R . .
C18 C 0.0839(3) 0.0335(2) 0.1010(2) 0.0379(7) Uani 1 1 d . . .
H18 H 0.0228 -0.0023 0.1123 0.045 Uiso 1 1 calc R . .
C19 C 0.1053(3) 0.0695(2) 0.15557(19) 0.0399(7) Uani 1 1 d . . .
H19 H 0.0590 0.0579 0.2046 0.048 Uiso 1 1 calc R . .
C20 C 0.1938(3) 0.1226(2) 0.13962(17) 0.0330(6) Uani 1 1 d . . .
H20 H 0.2064 0.1481 0.1772 0.040 Uiso 1 1 calc R . .
C21 C 0.5238(3) 0.11657(19) 0.10766(15) 0.0223(5) Uani 1 1 d . . .
C22 C 0.6148(3) 0.1508(2) 0.12644(18) 0.0329(6) Uani 1 1 d . . .
H22 H 0.6002 0.2199 0.1104 0.040 Uiso 1 1 calc R . .
C23 C 0.7268(3) 0.0846(2) 0.1685(2) 0.0400(7) Uani 1 1 d . . .
H23 H 0.7887 0.1088 0.1806 0.048 Uiso 1 1 calc R . .
C24 C 0.7485(3) -0.0165(2) 0.19285(18) 0.0372(7) Uani 1 1 d . . .
H24 H 0.8247 -0.0614 0.2220 0.045 Uiso 1 1 calc R . .
C25 C 0.6588(3) -0.0516(2) 0.17462(16) 0.0304(6) Uani 1 1 d . . .
H25 H 0.6736 -0.1208 0.1912 0.037 Uiso 1 1 calc R . .
C26 C 0.5468(3) 0.01449(19) 0.13189(15) 0.0245(5) Uani 1 1 d . . .
H26 H 0.4858 -0.0099 0.1192 0.029 Uiso 1 1 calc R . .
C27 C 0.8059(3) 0.3388(2) 0.77568(16) 0.0265(6) Uani 1 1 d . . .
C28 C 0.7250(3) 0.3876(2) 0.82413(17) 0.0292(6) Uani 1 1 d . . .
H28 H 0.7401 0.3796 0.8767 0.035 Uiso 1 1 calc R . .
C29 C 0.6180(3) 0.4500(2) 0.77722(16) 0.0276(6) Uani 1 1 d . . .
H29 H 0.5437 0.4945 0.7923 0.033 Uiso 1 1 calc R . .
C30 C 0.9341(3) 0.2608(2) 0.79541(18) 0.0350(7) Uani 1 1 d . . .
C31 C 0.7083(3) 0.6028(2) 0.46340(17) 0.0350(7) Uani 1 1 d . A .
C32 C 0.6033(4) 0.6862(2) 0.46156(19) 0.0428(8) Uani 1 1 d . . .
H32 H 0.5864 0.7512 0.4235 0.051 Uiso 1 1 calc R . .
C33 C 0.5298(3) 0.6532(2) 0.52712(18) 0.0363(7) Uani 1 1 d . . .
H33 H 0.4508 0.6925 0.5433 0.044 Uiso 1 1 calc R . .
C34 C 0.8177(4) 0.5944(3) 0.4064(2) 0.0509(10) Uani 1 1 d . . .
C35 C 0.9143(3) 0.23726(19) 0.43784(15) 0.0225(5) Uani 1 1 d . . .
C36 C 1.0146(3) 0.1749(2) 0.40724(17) 0.0276(6) Uani 1 1 d . . .
H36 H 1.0762 0.1191 0.4418 0.033 Uiso 1 1 calc R . .
C37 C 1.0247(3) 0.1943(2) 0.32610(17) 0.0325(6) Uani 1 1 d . . .
H37 H 1.0943 0.1526 0.3055 0.039 Uiso 1 1 calc R . .
C38 C 0.9340(3) 0.2739(2) 0.27541(17) 0.0359(7) Uani 1 1 d . . .
H38 H 0.9403 0.2859 0.2202 0.043 Uiso 1 1 calc R . .
C39 C 0.8336(3) 0.3362(2) 0.30513(17) 0.0351(7) Uani 1 1 d . . .
H39 H 0.7709 0.3907 0.2703 0.042 Uiso 1 1 calc R . .
C40 C 0.8248(3) 0.3190(2) 0.38596(16) 0.0272(6) Uani 1 1 d . . .
H40 H 0.7575 0.3629 0.4059 0.033 Uiso 1 1 calc R . .
C41 C 0.7826(2) 0.14620(19) 0.58141(16) 0.0236(5) Uani 1 1 d . . .
C42 C 0.7268(3) 0.1409(2) 0.65576(17) 0.0316(6) Uani 1 1 d . . .
H42 H 0.7445 0.1777 0.6828 0.038 Uiso 1 1 calc R . .
C43 C 0.6457(3) 0.0826(2) 0.69083(18) 0.0361(7) Uani 1 1 d . . .
H43 H 0.6098 0.0785 0.7421 0.043 Uiso 1 1 calc R . .
C44 C 0.6171(3) 0.0310(2) 0.65141(19) 0.0348(7) Uani 1 1 d . . .
H44 H 0.5617 -0.0089 0.6755 0.042 Uiso 1 1 calc R . .
C45 C 0.6692(3) 0.0369(2) 0.57653(19) 0.0353(7) Uani 1 1 d . . .
H45 H 0.6487 0.0015 0.5494 0.042 Uiso 1 1 calc R . .
C46 C 0.7518(3) 0.0949(2) 0.54085(18) 0.0297(6) Uani 1 1 d . . .
H46 H 0.7868 0.0994 0.4894 0.036 Uiso 1 1 calc R . .
C47 C 1.0537(3) 0.1284(2) 0.58114(16) 0.0244(5) Uani 1 1 d . . .
C48 C 1.1644(3) 0.1608(2) 0.56189(19) 0.0342(7) Uani 1 1 d . . .
H48 H 1.1544 0.2292 0.5361 0.041 Uiso 1 1 calc R . .
C49 C 1.2888(3) 0.0931(2) 0.5803(2) 0.0407(7) Uani 1 1 d . . .
H49 H 1.3636 0.1153 0.5662 0.049 Uiso 1 1 calc R . .
C50 C 1.3041(3) -0.0070(2) 0.6193(2) 0.0412(8) Uani 1 1 d . . .
H50 H 1.3892 -0.0532 0.6317 0.049 Uiso 1 1 calc R . .
C51 C 1.1941(3) -0.0394(2) 0.64016(18) 0.0346(7) Uani 1 1 d . . .
H51 H 1.2041 -0.1075 0.6681 0.041 Uiso 1 1 calc R . .
C52 C 1.0697(3) 0.0276(2) 0.62015(16) 0.0263(6) Uani 1 1 d . . .
H52 H 0.9953 0.0049 0.6330 0.032 Uiso 1 1 calc R . .
F1 F 0.4998(2) 0.29615(18) 0.29242(18) 0.0764(8) Uani 1 1 d . . .
F2 F 0.4305(2) 0.19776(17) 0.26521(14) 0.0692(8) Uani 1 1 d . . .
F3 F 0.4033(2) 0.20581(17) 0.38042(12) 0.0605(6) Uani 1 1 d . . .
F4 F 0.3778(3) 0.49575(18) -0.08776(16) 0.0705(8) Uani 1 1 d . . .
F5 F 0.43548(19) 0.59444(15) -0.05384(12) 0.0457(5) Uani 1 1 d . . .
F6 F 0.3092(2) 0.65424(19) -0.15230(12) 0.0615(6) Uani 1 1 d . . .
F7 F 1.0331(2) 0.29659(17) 0.79145(15) 0.0612(6) Uani 1 1 d . . .
F8 F 0.9662(3) 0.20723(19) 0.74926(16) 0.0839(10) Uani 1 1 d . . .
F9 F 0.9370(2) 0.19787(15) 0.86997(12) 0.0535(5) Uani 1 1 d . . .
F10 F 0.8204(6) 0.5345(4) 0.3732(3) 0.074(2) Uani 0.642(7) 1 d P A 1
F11 F 0.9209(5) 0.5849(4) 0.4347(3) 0.0615(17) Uani 0.642(7) 1 d P A 1
F12 F 0.7863(4) 0.6874(3) 0.3437(2) 0.0564(12) Uani 0.642(7) 1 d P A 1
F10A F 0.9243(7) 0.4890(5) 0.4323(4) 0.067(3) Uani 0.358(7) 1 d P A 2
F12A F 0.8075(9) 0.5979(15) 0.3404(6) 0.136(8) Uani 0.358(7) 1 d P A 2
F11A F 0.9138(12) 0.6330(10) 0.4033(9) 0.112(6) Uani 0.358(7) 1 d P A 2
H2A H 0.533(3) 0.417(2) 0.6174(18) 0.028(8) Uiso 1 1 d . . .
H1A H 0.015(3) 0.419(2) 0.1120(19) 0.035(9) Uiso 1 1 d . . .
H2B H 0.445(4) 0.525(3) 0.654(2) 0.042(10) Uiso 1 1 d . . .
H1B H -0.081(4) 0.527(3) 0.146(2) 0.046(10) 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'
B B 0.0013 0.0007 '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
N4 Ag1 N2 89.05(8) . . ?
N4 Ag1 P1 139.73(6) . . ?
N2 Ag1 P1 130.93(6) . . ?
N8 Ag2 N6 89.44(8) . . ?
N8 Ag2 P2 140.12(6) . . ?
N6 Ag2 P2 128.52(6) . . ?
N1 B1 N3 109.2(2) . . ?
N1 B1 H1A 109.9(16) . . ?
N3 B1 H1A 108.3(17) . . ?
N1 B1 H1B 109.6(19) . . ?
N3 B1 H1B 106.6(19) . . ?
H1A B1 H1B 113(2) . . ?
N5 B2 N7 109.8(2) . . ?
N5 B2 H2A 109.2(15) . . ?
N7 B2 H2A 107.8(15) . . ?
N5 B2 H2B 109.2(19) . . ?
N7 B2 H2B 105.8(19) . . ?
H2A B2 H2B 115(2) . . ?
C3 N1 N2 109.9(2) . . ?
C3 N1 B1 130.2(2) . . ?
N2 N1 B1 119.8(2) . . ?
C1 N2 N1 105.6(2) . . ?
C1 N2 Ag1 141.36(19) . . ?
N1 N2 Ag1 112.29(16) . . ?
C7 N3 N4 110.5(2) . . ?
C7 N3 B1 130.3(3) . . ?
N4 N3 B1 119.2(2) . . ?
C5 N4 N3 105.5(2) . . ?
C5 N4 Ag1 140.53(19) . . ?
N3 N4 Ag1 113.68(16) . . ?
C29 N5 N6 110.1(2) . . ?
C29 N5 B2 129.3(2) . . ?
N6 N5 B2 120.2(2) . . ?
C27 N6 N5 105.4(2) . . ?
C27 N6 Ag2 140.37(18) . . ?
N5 N6 Ag2 113.05(15) . . ?
C33 N7 N8 110.7(2) . . ?
C33 N7 B2 129.3(3) . . ?
N8 N7 B2 119.7(2) . . ?
C31 N8 N7 105.2(2) . . ?
C31 N8 Ag2 139.2(2) . . ?
N7 N8 Ag2 115.61(16) . . ?
C21 P1 C9 104.13(12) . . ?
C21 P1 C15 104.24(12) . . ?
C9 P1 C15 104.45(12) . . ?
C21 P1 Ag1 116.25(9) . . ?
C9 P1 Ag1 116.43(9) . . ?
C15 P1 Ag1 110.03(9) . . ?
C41 P2 C47 103.29(12) . . ?
C41 P2 C35 105.64(12) . . ?
C47 P2 C35 101.79(12) . . ?
C41 P2 Ag2 106.50(9) . . ?
C47 P2 Ag2 120.47(9) . . ?
C35 P2 Ag2 117.49(9) . . ?
N2 C1 C2 111.8(2) . . ?
N2 C1 C4 120.5(2) . . ?
C2 C1 C4 127.7(3) . . ?
C3 C2 C1 103.3(2) . . ?
C3 C2 H2 128.3 . . ?
C1 C2 H2 128.3 . . ?
N1 C3 C2 109.5(2) . . ?
N1 C3 H3 125.3 . . ?
C2 C3 H3 125.3 . . ?
F2 C4 F1 106.3(3) . . ?
F2 C4 F3 106.3(3) . . ?
F1 C4 F3 104.6(3) . . ?
F2 C4 C1 113.1(2) . . ?
F1 C4 C1 113.6(3) . . ?
F3 C4 C1 112.4(3) . . ?
N4 C5 C6 111.0(3) . . ?
N4 C5 C8 121.1(3) . . ?
C6 C5 C8 127.9(3) . . ?
C7 C6 C5 104.3(3) . . ?
C7 C6 H6 127.9 . . ?
C5 C6 H6 127.9 . . ?
N3 C7 C6 108.7(3) . . ?
N3 C7 H7 125.6 . . ?
C6 C7 H7 125.6 . . ?
F4 C8 F5 106.2(3) . . ?
F4 C8 F6 109.4(3) . . ?
F5 C8 F6 103.9(2) . . ?
F4 C8 C5 113.9(3) . . ?
F5 C8 C5 112.9(3) . . ?
F6 C8 C5 110.0(3) . . ?
C10 C9 C14 119.6(2) . . ?
C10 C9 P1 122.9(2) . . ?
C14 C9 P1 117.5(2) . . ?
C9 C10 C11 119.9(3) . . ?
C9 C10 H10 120.0 . . ?
C11 C10 H10 120.0 . . ?
C12 C11 C10 120.2(3) . . ?
C12 C11 H11 119.9 . . ?
C10 C11 H11 119.9 . . ?
C11 C12 C13 120.0(3) . . ?
C11 C12 H12 120.0 . . ?
C13 C12 H12 120.0 . . ?
C14 C13 C12 120.1(3) . . ?
C14 C13 H13 119.9 . . ?
C12 C13 H13 119.9 . . ?
C13 C14 C9 120.1(3) . . ?
C13 C14 H14 119.9 . . ?
C9 C14 H14 119.9 . . ?
C16 C15 C20 119.1(3) . . ?
C16 C15 P1 123.2(2) . . ?
C20 C15 P1 117.7(2) . . ?
C15 C16 C17 120.9(3) . . ?
C15 C16 H16 119.6 . . ?
C17 C16 H16 119.6 . . ?
C18 C17 C16 119.7(3) . . ?
C18 C17 H17 120.1 . . ?
C16 C17 H17 120.1 . . ?
C19 C18 C17 119.6(3) . . ?
C19 C18 H18 120.2 . . ?
C17 C18 H18 120.2 . . ?
C18 C19 C20 120.8(3) . . ?
C18 C19 H19 119.6 . . ?
C20 C19 H19 119.6 . . ?
C19 C20 C15 119.9(3) . . ?
C19 C20 H20 120.0 . . ?
C15 C20 H20 120.0 . . ?
C22 C21 C26 118.9(2) . . ?
C22 C21 P1 118.2(2) . . ?
C26 C21 P1 122.9(2) . . ?
C23 C22 C21 120.5(3) . . ?
C23 C22 H22 119.8 . . ?
C21 C22 H22 119.8 . . ?
C24 C23 C22 120.3(3) . . ?
C24 C23 H23 119.8 . . ?
C22 C23 H23 119.8 . . ?
C25 C24 C23 119.8(3) . . ?
C25 C24 H24 120.1 . . ?
C23 C24 H24 120.1 . . ?
C24 C25 C26 120.1(3) . . ?
C24 C25 H25 119.9 . . ?
C26 C25 H25 119.9 . . ?
C25 C26 C21 120.3(3) . . ?
C25 C26 H26 119.8 . . ?
C21 C26 H26 119.8 . . ?
N6 C27 C28 111.8(2) . . ?
N6 C27 C30 120.4(2) . . ?
C28 C27 C30 127.8(3) . . ?
C29 C28 C27 103.4(2) . . ?
C29 C28 H28 128.3 . . ?
C27 C28 H28 128.3 . . ?
N5 C29 C28 109.3(2) . . ?
N5 C29 H29 125.3 . . ?
C28 C29 H29 125.3 . . ?
F8 C30 F9 106.9(3) . . ?
F8 C30 F7 107.2(3) . . ?
F9 C30 F7 104.0(2) . . ?
F8 C30 C27 113.0(2) . . ?
F9 C30 C27 112.0(3) . . ?
F7 C30 C27 113.1(3) . . ?
N8 C31 C32 111.2(3) . . ?
N8 C31 C34 120.7(3) . . ?
C32 C31 C34 128.1(3) . . ?
C33 C32 C31 104.3(3) . . ?
C33 C32 H32 127.9 . . ?
C31 C32 H32 127.9 . . ?
N7 C33 C32 108.7(3) . . ?
N7 C33 H33 125.6 . . ?
C32 C33 H33 125.6 . . ?
F12A C34 F11 124.4(6) . . ?
F12A C34 F10 42.9(9) . . ?
F11 C34 F10 117.6(6) . . ?
F12A C34 F11A 106.3(9) . . ?
F11 C34 F11A 32.6(7) . . ?
F10 C34 F11A 125.6(5) . . ?
F12A C34 F12 60.6(10) . . ?
F11 C34 F12 106.1(4) . . ?
F10 C34 F12 103.4(4) . . ?
F11A C34 F12 73.5(8) . . ?
F12A C34 C31 124.3(6) . . ?
F11 C34 C31 111.2(4) . . ?
F10 C34 C31 112.1(3) . . ?
F11A C34 C31 121.2(5) . . ?
F12 C34 C31 105.1(4) . . ?
F12A C34 F10A 94.7(9) . . ?
F11 C34 F10A 61.9(5) . . ?
F10 C34 F10A 60.8(5) . . ?
F11A C34 F10A 87.9(7) . . ?
F12 C34 F10A 141.6(4) . . ?
C31 C34 F10A 113.2(3) . . ?
C36 C35 C40 119.1(2) . . ?
C36 C35 P2 122.8(2) . . ?
C40 C35 P2 118.1(2) . . ?
C37 C36 C35 120.1(3) . . ?
C37 C36 H36 120.0 . . ?
C35 C36 H36 120.0 . . ?
C38 C37 C36 120.5(3) . . ?
C38 C37 H37 119.8 . . ?
C36 C37 H37 119.8 . . ?
C37 C38 C39 120.0(3) . . ?
C37 C38 H38 120.0 . . ?
C39 C38 H38 120.0 . . ?
C38 C39 C40 120.0(3) . . ?
C38 C39 H39 120.0 . . ?
C40 C39 H39 120.0 . . ?
C39 C40 C35 120.4(3) . . ?
C39 C40 H40 119.8 . . ?
C35 C40 H40 119.8 . . ?
C42 C41 C46 119.1(3) . . ?
C42 C41 P2 117.5(2) . . ?
C46 C41 P2 123.3(2) . . ?
C43 C42 C41 120.8(3) . . ?
C43 C42 H42 119.6 . . ?
C41 C42 H42 119.6 . . ?
C44 C43 C42 120.0(3) . . ?
C44 C43 H43 120.0 . . ?
C42 C43 H43 120.0 . . ?
C43 C44 C45 120.1(3) . . ?
C43 C44 H44 119.9 . . ?
C45 C44 H44 119.9 . . ?
C44 C45 C46 120.3(3) . . ?
C44 C45 H45 119.8 . . ?
C46 C45 H45 119.8 . . ?
C41 C46 C45 119.6(3) . . ?
C41 C46 H46 120.2 . . ?
C45 C46 H46 120.2 . . ?
C52 C47 C48 119.2(3) . . ?
C52 C47 P2 122.4(2) . . ?
C48 C47 P2 117.9(2) . . ?
C49 C48 C47 120.3(3) . . ?
C49 C48 H48 119.9 . . ?
C47 C48 H48 119.9 . . ?
C48 C49 C50 120.2(3) . . ?
C48 C49 H49 119.9 . . ?
C50 C49 H49 119.9 . . ?
C49 C50 C51 119.8(3) . . ?
C49 C50 H50 120.1 . . ?
C51 C50 H50 120.1 . . ?
C52 C51 C50 120.2(3) . . ?
C52 C51 H51 119.9 . . ?
C50 C51 H51 119.9 . . ?
C51 C52 C47 120.3(3) . . ?
C51 C52 H52 119.9 . . ?
C47 C52 H52 119.9 . . ?
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 N4 2.282(2) . ?
Ag1 N2 2.309(2) . ?
Ag1 P1 2.3621(7) . ?
Ag2 N8 2.264(2) . ?
Ag2 N6 2.325(2) . ?
Ag2 P2 2.3706(7) . ?
B1 N1 1.551(4) . ?
B1 N3 1.566(4) . ?
B1 H1A 1.16(3) . ?
B1 H1B 1.13(4) . ?
B2 N5 1.558(4) . ?
B2 N7 1.562(4) . ?
B2 H2A 1.20(3) . ?
B2 H2B 1.07(4) . ?
N1 C3 1.346(4) . ?
N1 N2 1.359(3) . ?
N2 C1 1.338(4) . ?
N3 C7 1.345(4) . ?
N3 N4 1.356(3) . ?
N4 C5 1.349(4) . ?
N5 C29 1.348(4) . ?
N5 N6 1.360(3) . ?
N6 C27 1.345(3) . ?
N7 C33 1.333(4) . ?
N7 N8 1.359(3) . ?
N8 C31 1.340(4) . ?
P1 C21 1.817(3) . ?
P1 C9 1.821(3) . ?
P1 C15 1.830(3) . ?
P2 C41 1.821(3) . ?
P2 C47 1.823(3) . ?
P2 C35 1.824(3) . ?
C1 C2 1.399(4) . ?
C1 C4 1.483(4) . ?
C2 C3 1.375(4) . ?
C2 H2 0.9500 . ?
C3 H3 0.9500 . ?
C4 F2 1.324(4) . ?
C4 F1 1.330(4) . ?
C4 F3 1.334(4) . ?
C5 C6 1.395(4) . ?
C5 C8 1.472(5) . ?
C6 C7 1.375(5) . ?
C6 H6 0.9500 . ?
C7 H7 0.9500 . ?
C8 F4 1.308(4) . ?
C8 F5 1.346(4) . ?
C8 F6 1.357(4) . ?
C9 C10 1.391(4) . ?
C9 C14 1.400(4) . ?
C10 C11 1.397(4) . ?
C10 H10 0.9500 . ?
C11 C12 1.388(4) . ?
C11 H11 0.9500 . ?
C12 C13 1.392(4) . ?
C12 H12 0.9500 . ?
C13 C14 1.387(4) . ?
C13 H13 0.9500 . ?
C14 H14 0.9500 . ?
C15 C16 1.388(4) . ?
C15 C20 1.395(4) . ?
C16 C17 1.395(4) . ?
C16 H16 0.9500 . ?
C17 C18 1.392(5) . ?
C17 H17 0.9500 . ?
C18 C19 1.382(5) . ?
C18 H18 0.9500 . ?
C19 C20 1.393(4) . ?
C19 H19 0.9500 . ?
C20 H20 0.9500 . ?
C21 C22 1.391(4) . ?
C21 C26 1.400(4) . ?
C22 C23 1.391(4) . ?
C22 H22 0.9500 . ?
C23 C24 1.388(5) . ?
C23 H23 0.9500 . ?
C24 C25 1.385(4) . ?
C24 H24 0.9500 . ?
C25 C26 1.396(4) . ?
C25 H25 0.9500 . ?
C26 H26 0.9500 . ?
C27 C28 1.399(4) . ?
C27 C30 1.481(4) . ?
C28 C29 1.381(4) . ?
C28 H28 0.9500 . ?
C29 H29 0.9500 . ?
C30 F8 1.324(4) . ?
C30 F9 1.338(4) . ?
C30 F7 1.341(4) . ?
C31 C32 1.391(5) . ?
C31 C34 1.473(5) . ?
C32 C33 1.371(5) . ?
C32 H32 0.9500 . ?
C33 H33 0.9500 . ?
C34 F12A 1.204(9) . ?
C34 F11 1.236(6) . ?
C34 F10 1.267(5) . ?
C34 F11A 1.344(10) . ?
C34 F12 1.420(5) . ?
C34 F10A 1.581(8) . ?
C35 C36 1.396(4) . ?
C35 C40 1.398(4) . ?
C36 C37 1.393(4) . ?
C36 H36 0.9500 . ?
C37 C38 1.381(4) . ?
C37 H37 0.9500 . ?
C38 C39 1.387(5) . ?
C38 H38 0.9500 . ?
C39 C40 1.393(4) . ?
C39 H39 0.9500 . ?
C40 H40 0.9500 . ?
C41 C42 1.393(4) . ?
C41 C46 1.398(4) . ?
C42 C43 1.389(4) . ?
C42 H42 0.9500 . ?
C43 C44 1.375(4) . ?
C43 H43 0.9500 . ?
C44 C45 1.388(5) . ?
C44 H44 0.9500 . ?
C45 C46 1.399(4) . ?
C45 H45 0.9500 . ?
C46 H46 0.9500 . ?
C47 C52 1.399(4) . ?
C47 C48 1.401(4) . ?
C48 C49 1.390(4) . ?
C48 H48 0.9500 . ?
C49 C50 1.392(5) . ?
C49 H49 0.9500 . ?
C50 C51 1.395(5) . ?
C50 H50 0.9500 . ?
C51 C52 1.389(4) . ?
C51 H51 0.9500 . ?
C52 H52 0.9500 . ?
