#------------------------------------------------------------------------------
#$Date: 2025-08-21 00:01:10 +0200 (Thu 21 de Aug de 2025) $
#$Revision: 301838 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/26/4322661.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_4322661
loop_
_publ_author_name
'C. Santini'
'G. Gioia Lobbia'
'C. Pettinari'
'M. Pellei'
'G. Valle'
'S. Calogero'
_publ_section_title
;
 Syntheses and Spectroscopic and Structural Characterization of Silver(I)
 Complexes Containing Tertiary Phosphines and Hydrotris(pyrazol-1-yl)-,
 Hydrotris(4-bromopyrazol-1-yl)-, Hydrotris(3,5-dimethypyrazol-1-yl)-, and
 Hydrotris(3-methyl-2-thioxo-1-imidazolyl)borates
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              890
_journal_page_last               900
_journal_paper_doi               10.1021/ic9707624
_journal_volume                  37
_journal_year                    1998
_chemical_formula_sum            'C27 H25 Ag B N6 P'
_chemical_formula_weight         583.18
_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
_cell_angle_alpha                94.80(10)
_cell_angle_beta                 107.40(10)
_cell_angle_gamma                87.80(10)
_cell_formula_units_Z            4
_cell_length_a                   15.082(2)
_cell_length_b                   19.728(2)
_cell_length_c                   9.4320(10)
_cell_measurement_temperature    293(2)
_cell_volume                     2668.3(16)
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0263
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            10033
_diffrn_reflns_theta_max         27.99
_diffrn_reflns_theta_min         2.07
_exptl_absorpt_coefficient_mu    0.843
_exptl_crystal_density_diffrn    1.452
_exptl_crystal_F_000             1184
_refine_diff_density_max         0.638
_refine_diff_density_min         -0.485
_refine_diff_density_rms         0.065
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   0.794
_refine_ls_goodness_of_fit_obs   0.776
_refine_ls_matrix_type           full
_refine_ls_number_parameters     775
_refine_ls_number_reflns         10033
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.794
_refine_ls_restrained_S_obs      0.776
_refine_ls_R_factor_all          0.0552
_refine_ls_R_factor_obs          0.0322
_refine_ls_shift/esd_max         0.035
_refine_ls_shift/esd_mean        0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.1098
_refine_ls_wR_factor_obs         0.0914
_reflns_number_observed          7465
_reflns_number_total             10033
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            ic9707624_1.cif
_cod_data_source_block           compound1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.1000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.1000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        2668.3(5)
_cod_database_code               4322661
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_thermal_displace_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_group
Ag1 Ag 0.59697(2) 0.841917(12) 0.28576(3) 0.05473(9) Uani 1 d . .
P1 P 0.69952(5) 0.92642(4) 0.42093(8) 0.0424(2) Uani 1 d . .
N1 N 0.5991(2) 0.76433(15) 0.0880(3) 0.0619(7) Uani 1 d . .
N2 N 0.5149(2) 0.73882(13) 0.0079(3) 0.0565(7) Uani 1 d . .
N3 N 0.5188(2) 0.75083(13) 0.3380(3) 0.0520(6) Uani 1 d . .
N4 N 0.4491(2) 0.72398(12) 0.2210(3) 0.0507(6) Uani 1 d . .
N5 N 0.4473(2) 0.87324(13) 0.1401(3) 0.0533(6) Uani 1 d . .
N6 N 0.3934(2) 0.82119(13) 0.0585(3) 0.0515(6) Uani 1 d . .
C1 C 0.5219(4) 0.7047(2) -0.1176(4) 0.0741(12) Uani 1 d . .
C2 C 0.6103(4) 0.7071(2) -0.1197(5) 0.087(2) Uani 1 d . .
C3 C 0.6566(4) 0.7449(2) 0.0094(5) 0.0722(11) Uani 1 d . .
C4 C 0.4037(3) 0.6775(2) 0.2680(5) 0.0661(10) Uani 1 d . .
C5 C 0.4437(3) 0.6737(2) 0.4165(6) 0.0772(12) Uani 1 d . .
C6 C 0.5146(3) 0.7201(2) 0.4550(5) 0.0644(10) Uani 1 d . .
C7 C 0.3076(2) 0.8451(2) -0.0089(4) 0.0626(9) Uani 1 d . .
C8 C 0.3050(3) 0.9130(2) 0.0269(5) 0.0653(9) Uani 1 d . .
C9 C 0.3929(3) 0.9283(2) 0.1205(4) 0.0570(8) Uani 1 d . .
C11 C 0.84118(14) 0.99484(8) 0.3511(3) 0.0563(8) Uani 1 d G .
C12 C 0.9227(2) 0.99658(10) 0.3115(3) 0.0705(10) Uani 1 d G .
C13 C 0.96993(13) 0.93643(12) 0.2910(3) 0.0664(9) Uani 1 d G .
C14 C 0.93563(15) 0.87453(10) 0.3101(3) 0.0651(9) Uani 1 d G .
C15 C 0.8541(2) 0.87278(8) 0.3496(3) 0.0570(8) Uani 1 d G .
C10 C 0.80688(12) 0.93294(10) 0.3701(2) 0.0454(6) Uani 1 d G .
C17 C 0.82552(13) 0.94082(13) 0.7108(2) 0.0612(9) Uani 1 d G .
C18 C 0.84939(14) 0.9362(2) 0.8639(2) 0.0795(12) Uani 1 d G .
C19 C 0.7865(2) 0.9104(2) 0.9265(2) 0.0835(13) Uani 1 d G .
C20 C 0.6997(2) 0.88915(15) 0.8360(2) 0.0767(12) Uani 1 d G .
C21 C 0.67578(13) 0.89375(13) 0.6829(2) 0.0651(9) Uani 1 d G .
C16 C 0.73872(14) 0.91958(11) 0.6203(2) 0.0448(6) Uani 1 d G .
C23 C 0.6054(2) 1.02940(10) 0.2567(2) 0.0542(8) Uani 1 d G .
C24 C 0.5650(2) 1.09362(11) 0.2332(2) 0.0635(9) Uani 1 d G .
C25 C 0.5669(2) 1.13965(9) 0.3539(3) 0.0667(10) Uani 1 d G .
C26 C 0.6091(2) 1.12146(9) 0.4982(2) 0.0642(9) Uani 1 d G .
C27 C 0.6495(2) 1.05724(10) 0.5217(2) 0.0544(8) Uani 1 d G .
C22 C 0.64761(14) 1.01121(8) 0.4009(2) 0.0434(6) Uani 1 d G .
B1 B 0.4281(3) 0.7472(2) 0.0627(4) 0.0557(9) Uani 1 d . .
Ag2 Ag 0.87659(2) 0.375731(11) 0.14803(3) 0.05284(9) Uani 1 d . .
P2 P 0.81111(5) 0.48214(4) 0.08195(8) 0.0419(2) Uani 1 d . .
N7 N 1.0284(2) 0.34186(13) 0.2641(3) 0.0516(6) Uani 1 d . .
N8 N 1.0434(2) 0.27434(13) 0.2839(3) 0.0515(6) Uani 1 d . .
N9 N 0.8740(2) 0.27366(13) -0.0059(3) 0.0506(6) Uani 1 d . .
N10 N 0.9191(2) 0.21934(13) 0.0651(3) 0.0493(6) Uani 1 d . .
N11 N 0.8403(2) 0.29944(14) 0.2985(3) 0.0532(6) Uani 1 d . .
N12 N 0.8902(2) 0.24009(13) 0.3141(3) 0.0507(6) Uani 1 d . .
C28 C 1.1349(3) 0.2633(2) 0.3486(5) 0.0758(11) Uani 1 d . .
C29 C 1.1797(3) 0.3230(3) 0.3734(6) 0.0862(14) Uani 1 d . .
C30 C 1.1114(3) 0.3707(2) 0.3185(4) 0.0643(9) Uani 1 d . .
C31 C 0.9123(3) 0.1660(2) -0.0341(4) 0.0653(9) Uani 1 d . .
C32 C 0.8640(3) 0.1848(2) -0.1722(4) 0.0680(10) Uani 1 d . .
C33 C 0.8408(2) 0.2522(2) -0.1479(4) 0.0549(8) Uani 1 d . .
C34 C 0.8574(3) 0.2009(2) 0.3968(4) 0.0683(10) Uani 1 d . .
C35 C 0.7868(3) 0.2341(3) 0.4347(4) 0.0767(12) Uani 1 d . .
C36 C 0.7784(3) 0.2949(2) 0.3712(4) 0.0641(9) Uani 1 d . .
C38 C 0.68980(13) 0.57195(8) 0.1862(3) 0.0516(7) Uani 1 d G .
C39 C 0.60923(15) 0.58715(8) 0.2259(3) 0.0591(8) Uani 1 d G .
C40 C 0.54702(12) 0.53594(11) 0.2193(3) 0.0580(8) Uani 1 d G .
C41 C 0.56538(13) 0.46954(9) 0.1730(3) 0.0613(9) Uani 1 d G .
C42 C 0.64595(14) 0.45434(7) 0.1333(2) 0.0523(7) Uani 1 d G .
C37 C 0.70816(11) 0.50555(9) 0.1399(2) 0.0420(6) Uani 1 d G .
C44 C 0.8935(2) 0.60704(12) 0.0672(2) 0.0589(8) Uani 1 d G .
C45 C 0.9463(2) 0.66399(11) 0.1322(3) 0.0768(11) Uani 1 d G .
C46 C 0.9913(2) 0.66938(12) 0.2844(3) 0.0784(12) Uani 1 d G .
C47 C 0.9837(2) 0.61782(15) 0.3717(2) 0.0791(12) Uani 1 d G .
C48 C 0.9309(2) 0.56087(12) 0.3068(2) 0.0666(9) Uani 1 d G .
C43 C 0.88587(14) 0.55548(9) 0.1545(2) 0.0453(6) Uani 1 d G .
C50 C 0.69476(14) 0.52608(11) -0.1900(2) 0.0539(8) Uani 1 d G .
C51 C 0.66719(14) 0.52718(13) -0.3442(2) 0.0670(10) Uani 1 d G .
C52 C 0.7162(2) 0.48917(14) -0.4276(2) 0.0707(10) Uani 1 d G .
C53 C 0.7927(2) 0.45006(13) -0.3567(2) 0.0673(10) Uani 1 d G .
C54 C 0.82032(13) 0.44896(11) -0.2024(2) 0.0558(8) Uani 1 d G .
C49 C 0.77133(13) 0.48697(10) -0.1191(2) 0.0425(6) Uani 1 d G .
B2 B 0.9644(3) 0.2225(2) 0.2346(4) 0.0509(8) Uani 1 d . .
H1 H 0.4695(28) 0.6831(21) -0.1848(47) 0.074(12) Uiso 1 d . .
H2 H 0.6424(36) 0.6973(26) -0.1770(58) 0.111(18) Uiso 1 d . .
H3 H 0.7188(33) 0.7564(24) 0.0505(52) 0.096(16) Uiso 1 d . .
H4 H 0.3490(28) 0.6593(21) 0.1920(44) 0.073(12) Uiso 1 d . .
H5 H 0.4238(34) 0.6466(26) 0.4709(55) 0.110(17) Uiso 1 d . .
H6 H 0.5580(27) 0.7302(20) 0.5319(44) 0.069(13) Uiso 1 d . .
H7 H 0.2583(26) 0.8177(19) -0.0670(40) 0.066(10) Uiso 1 d . .
H8 H 0.2585(26) 0.9429(19) -0.0004(40) 0.066(10) Uiso 1 d . .
H9 H 0.4128(25) 0.9616(19) 0.1654(42) 0.059(11) Uiso 1 d . .
H11 H 0.8070(24) 1.0386(19) 0.3658(39) 0.068(10) Uiso 1 d . .
H12 H 0.9463(28) 1.0417(22) 0.2768(45) 0.086(12) Uiso 1 d . .
H13 H 1.0383(28) 0.9328(21) 0.2722(45) 0.085(12) Uiso 1 d . .
H14 H 0.9684(28) 0.8347(22) 0.2976(45) 0.085(13) Uiso 1 d . .
H15 H 0.8214(26) 0.8270(21) 0.3544(43) 0.077(12) Uiso 1 d . .
H17 H 0.8713(28) 0.9580(21) 0.6697(45) 0.086(13) Uiso 1 d . .
H18 H 0.9065(31) 0.9575(23) 0.9354(50) 0.095(14) Uiso 1 d . .
H19 H 0.7974(32) 0.9069(25) 1.0216(52) 0.106(16) Uiso 1 d . .
H20 H 0.6565(29) 0.8739(22) 0.8904(48) 0.093(14) Uiso 1 d . .
H21 H 0.6178(30) 0.8728(22) 0.6092(48) 0.093(14) Uiso 1 d . .
H23 H 0.6019(28) 0.9966(21) 0.1658(46) 0.085(13) Uiso 1 d . .
H24 H 0.5381(23) 1.1043(17) 0.1313(38) 0.060(10) Uiso 1 d . .
H25 H 0.5410(27) 1.1858(21) 0.3401(44) 0.083(12) Uiso 1 d . .
H26 H 0.6023(34) 1.1486(26) 0.5672(54) 0.114(17) Uiso 1 d . .
H27 H 0.6798(25) 1.0474(19) 0.6142(40) 0.069(11) Uiso 1 d . .
H28 H 1.1590(29) 0.2222(22) 0.3657(47) 0.082(13) Uiso 1 d . .
H29 H 1.2432(36) 0.3284(25) 0.4110(54) 0.106(16) Uiso 1 d . .
H30 H 1.1129(25) 0.4143(20) 0.3137(40) 0.061(11) Uiso 1 d . .
H31 H 0.9426(30) 0.1256(23) -0.0020(48) 0.094(14) Uiso 1 d . .
H32 H 0.8458(29) 0.1553(23) -0.2576(49) 0.091(14) Uiso 1 d . .
H33 H 0.8075(23) 0.2817(17) -0.2131(38) 0.054(9) Uiso 1 d . .
H34 H 0.8836(27) 0.1603(21) 0.4123(44) 0.071(12) Uiso 1 d . .
H35 H 0.7574(29) 0.2181(21) 0.5000(44) 0.081(12) Uiso 1 d . .
H36 H 0.7467(27) 0.3324(21) 0.3766(44) 0.069(12) Uiso 1 d . .
H38 H 0.7337(25) 0.6098(19) 0.1890(43) 0.084(13) Uiso 1 d . .
H39 H 0.6038(28) 0.6329(21) 0.2684(44) 0.084(12) Uiso 1 d . .
H40 H 0.4920(25) 0.5443(18) 0.2505(39) 0.066(10) Uiso 1 d . .
H41 H 0.5193(25) 0.4357(20) 0.1645(41) 0.074(11) Uiso 1 d . .
H42 H 0.6597(25) 0.4064(19) 0.0942(40) 0.067(10) Uiso 1 d . .
H44 H 0.8610(25) 0.6063(19) -0.0267(41) 0.067(11) Uiso 1 d . .
H45 H 0.9620(35) 0.6991(27) 0.0714(57) 0.120(17) Uiso 1 d . .
H46 H 1.0283(38) 0.7180(29) 0.3280(61) 0.139(20) Uiso 1 d . .
H47 H 1.0212(33) 0.6198(25) 0.4788(52) 0.111(16) Uiso 1 d . .
H48 H 0.9351(32) 0.5237(24) 0.3649(52) 0.102(15) Uiso 1 d . .
H50 H 0.6657(23) 0.5535(18) -0.1303(37) 0.061(10) Uiso 1 d . .
H51 H 0.6163(31) 0.5560(23) -0.3843(51) 0.098(14) Uiso 1 d . .
H52 H 0.6980(30) 0.4852(23) -0.5333(49) 0.096(14) Uiso 1 d . .
H53 H 0.8192(36) 0.4188(27) -0.4330(59) 0.131(18) Uiso 1 d . .
H54 H 0.8764(30) 0.4195(22) -0.1489(49) 0.095(13) Uiso 1 d . .
H1B2 H 0.9933(22) 0.1706(17) 0.2632(35) 0.057(9) Uiso 1 d . .
H1B1 H 0.3770(25) 0.7123(19) -0.0146(41) 0.071(10) Uiso 1 d . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Ag Ag -0.8971 1.1015 '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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
C C 0.0033 0.0016 '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'
H H 0.0000 0.0000 '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
N1 Ag1 P1 133.00(9) . . ?
N1 Ag1 N3 79.62(11) . . ?
P1 Ag1 N3 137.22(8) . . ?
N1 Ag1 N5 86.29(14) . . ?
P1 Ag1 N5 119.37(9) . . ?
N3 Ag1 N5 83.58(12) . . ?
C16 P1 C22 103.93(14) . . ?
C16 P1 C10 104.28(13) . . ?
C22 P1 C10 104.13(12) . . ?
C16 P1 Ag1 114.80(11) . . ?
C22 P1 Ag1 112.40(10) . . ?
C10 P1 Ag1 115.99(10) . . ?
C3 N1 N2 105.7(3) . . ?
C3 N1 Ag1 137.9(3) . . ?
N2 N1 Ag1 115.1(2) . . ?
C1 N2 N1 109.6(4) . . ?
C1 N2 B1 127.5(4) . . ?
N1 N2 B1 122.9(3) . . ?
C6 N3 N4 105.7(3) . . ?
C6 N3 Ag1 138.6(3) . . ?
N4 N3 Ag1 115.3(2) . . ?
C4 N4 N3 109.6(3) . . ?
C4 N4 B1 127.7(3) . . ?
N3 N4 B1 122.6(3) . . ?
C9 N5 N6 105.6(3) . . ?
C9 N5 Ag1 138.4(2) . . ?
N6 N5 Ag1 115.7(2) . . ?
C7 N6 N5 109.6(3) . . ?
C7 N6 B1 128.2(3) . . ?
N5 N6 B1 121.9(3) . . ?
N2 C1 C2 108.5(4) . . ?
C1 C2 C3 105.6(4) . . ?
N1 C3 C2 110.6(5) . . ?
N4 C4 C5 108.4(4) . . ?
C4 C5 C6 105.0(4) . . ?
N3 C6 C5 111.3(4) . . ?
N6 C7 C8 108.6(3) . . ?
C7 C8 C9 105.0(3) . . ?
N5 C9 C8 111.2(4) . . ?
C12 C11 C10 120.0 . . ?
C11 C12 C13 120.0 . . ?
C14 C13 C12 120.0 . . ?
C13 C14 C15 120.0 . . ?
C10 C15 C14 120.0 . . ?
C15 C10 C11 120.0 . . ?
C15 C10 P1 117.43(13) . . ?
C11 C10 P1 122.57(14) . . ?
C18 C17 C16 120.0 . . ?
C17 C18 C19 120.0 . . ?
C20 C19 C18 120.0 . . ?
C19 C20 C21 120.0 . . ?
C20 C21 C16 120.0 . . ?
C21 C16 C17 120.0 . . ?
C21 C16 P1 116.63(14) . . ?
C17 C16 P1 123.33(14) . . ?
C24 C23 C22 120.0 . . ?
C25 C24 C23 120.0 . . ?
C24 C25 C26 120.0 . . ?
C27 C26 C25 120.0 . . ?
C26 C27 C22 120.0 . . ?
C27 C22 C23 120.0 . . ?
C27 C22 P1 123.06(13) . . ?
C23 C22 P1 116.94(15) . . ?
N6 B1 N4 110.2(3) . . ?
N6 B1 N2 110.7(3) . . ?
N4 B1 N2 110.8(3) . . ?
N7 Ag2 P2 131.74(11) . . ?
N7 Ag2 N11 83.52(12) . . ?
P2 Ag2 N11 129.86(9) . . ?
N7 Ag2 N9 83.74(14) . . ?
P2 Ag2 N9 129.03(8) . . ?
N11 Ag2 N9 80.97(10) . . ?
C49 P2 C43 105.35(14) . . ?
C49 P2 C37 103.77(13) . . ?
C43 P2 C37 102.73(12) . . ?
C49 P2 Ag2 111.93(12) . . ?
C43 P2 Ag2 116.46(10) . . ?
C37 P2 Ag2 115.25(10) . . ?
C30 N7 N8 105.8(3) . . ?
C30 N7 Ag2 137.5(3) . . ?
N8 N7 Ag2 116.7(2) . . ?
C28 N8 N7 109.0(3) . . ?
C28 N8 B2 128.7(3) . . ?
N7 N8 B2 122.3(2) . . ?
C33 N9 N10 106.1(3) . . ?
C33 N9 Ag2 138.4(2) . . ?
N10 N9 Ag2 115.5(2) . . ?
C31 N10 N9 109.1(3) . . ?
C31 N10 B2 128.4(3) . . ?
N9 N10 B2 122.4(3) . . ?
C36 N11 N12 106.3(3) . . ?
C36 N11 Ag2 137.5(3) . . ?
N12 N11 Ag2 116.1(2) . . ?
C34 N12 N11 108.4(3) . . ?
C34 N12 B2 128.7(3) . . ?
N11 N12 B2 122.7(2) . . ?
N8 C28 C29 109.2(4) . . ?
C28 C29 C30 104.9(4) . . ?
N7 C30 C29 111.1(4) . . ?
N10 C31 C32 109.3(3) . . ?
C31 C32 C33 104.1(3) . . ?
N9 C33 C32 111.4(3) . . ?
N12 C34 C35 109.3(4) . . ?
C34 C35 C36 104.9(4) . . ?
N11 C36 C35 111.2(4) . . ?
C39 C38 C37 120.0 . . ?
C40 C39 C38 120.0 . . ?
C39 C40 C41 120.0 . . ?
C42 C41 C40 120.0 . . ?
C41 C42 C37 120.0 . . ?
C42 C37 C38 120.0 . . ?
C42 C37 P2 117.53(12) . . ?
C38 C37 P2 122.46(13) . . ?
C45 C44 C43 120.0 . . ?
C46 C45 C44 120.0 . . ?
C45 C46 C47 120.0 . . ?
C48 C47 C46 120.0 . . ?
C47 C48 C43 120.0 . . ?
C48 C43 C44 120.0 . . ?
C48 C43 P2 116.8(2) . . ?
C44 C43 P2 123.07(14) . . ?
C51 C50 C49 120.0 . . ?
C50 C51 C52 120.0 . . ?
C53 C52 C51 120.0 . . ?
C52 C53 C54 120.0 . . ?
C49 C54 C53 120.0 . . ?
C54 C49 C50 120.0 . . ?
C54 C49 P2 117.33(13) . . ?
C50 C49 P2 122.67(14) . . ?
N10 B2 N8 111.0(3) . . ?
N10 B2 N12 109.7(3) . . ?
N8 B2 N12 111.0(3) . . ?
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 N1 2.319(3) . ?
Ag1 P1 2.337(3) . ?
Ag1 N3 2.350(3) . ?
Ag1 N5 2.355(4) . ?
P1 C16 1.810(2) . ?
P1 C22 1.820(2) . ?
P1 C10 1.832(2) . ?
N1 C3 1.327(5) . ?
N1 N2 1.359(4) . ?
N2 C1 1.343(5) . ?
N2 B1 1.542(5) . ?
N3 C6 1.322(5) . ?
N3 N4 1.361(4) . ?
N4 C4 1.344(4) . ?
N4 B1 1.536(5) . ?
N5 C9 1.328(4) . ?
N5 N6 1.366(4) . ?
N6 C7 1.345(4) . ?
N6 B1 1.531(5) . ?
C1 C2 1.342(7) . ?
C2 C3 1.380(7) . ?
C4 C5 1.357(6) . ?
C5 C6 1.379(6) . ?
C7 C8 1.357(5) . ?
C8 C9 1.384(6) . ?
C11 C12 1.39 . ?
C11 C10 1.39 . ?
C12 C13 1.39 . ?
C13 C14 1.39 . ?
C14 C15 1.39 . ?
C15 C10 1.39 . ?
C17 C18 1.39 . ?
C17 C16 1.39 . ?
C18 C19 1.39 . ?
C19 C20 1.39 . ?
C20 C21 1.39 . ?
C21 C16 1.39 . ?
C23 C24 1.39 . ?
C23 C22 1.39 . ?
C24 C25 1.39 . ?
C25 C26 1.39 . ?
C26 C27 1.39 . ?
C27 C22 1.39 . ?
Ag2 N7 2.322(3) . ?
Ag2 P2 2.337(2) . ?
Ag2 N11 2.338(3) . ?
Ag2 N9 2.376(3) . ?
P2 C49 1.820(2) . ?
P2 C43 1.825(3) . ?
P2 C37 1.826(2) . ?
N7 C30 1.331(5) . ?
N7 N8 1.362(4) . ?
N8 C28 1.349(5) . ?
N8 B2 1.538(5) . ?
N9 C33 1.321(4) . ?
N9 N10 1.361(4) . ?
N10 C31 1.334(4) . ?
N10 B2 1.536(5) . ?
N11 C36 1.322(4) . ?
N11 N12 1.362(4) . ?
N12 C34 1.346(5) . ?
N12 B2 1.537(5) . ?
C28 C29 1.348(7) . ?
C29 C30 1.379(6) . ?
C31 C32 1.363(6) . ?
C32 C33 1.379(5) . ?
C34 C35 1.351(7) . ?
C35 C36 1.370(6) . ?
C38 C39 1.39 . ?
C38 C37 1.39 . ?
C39 C40 1.39 . ?
C40 C41 1.39 . ?
C41 C42 1.39 . ?
C42 C37 1.39 . ?
C44 C45 1.39 . ?
C44 C43 1.39 . ?
C45 C46 1.39 . ?
C46 C47 1.39 . ?
C47 C48 1.39 . ?
C48 C43 1.39 . ?
C50 C51 1.39 . ?
C50 C49 1.39 . ?
C51 C52 1.39 . ?
C52 C53 1.39 . ?
C53 C54 1.39 . ?
C54 C49 1.39 . ?
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 168337491
