#------------------------------------------------------------------------------
#$Date: 2024-01-06 21:09:09 +0200 (Sat, 06 Jan 2024) $
#$Revision: 288921 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/57/07/1570712.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_1570712
loop_
_publ_author_name
'Glykos, Dimitrios'
'Plakatouras, John C.'
'Malandrinos, Gerasimos'
_publ_section_title
;
 Solution-State Studies, X-ray Structure Determination and Luminescence
 Properties of an Ag(I) Heteroleptic Complex Containing
 2,9-Bis(styryl)-1,10-phenanthroline Derivative and Triphenylphosphine
;
_journal_issue                   12
_journal_name_full               Inorganics
_journal_page_first              467
_journal_paper_doi               10.3390/inorganics11120467
_journal_volume                  11
_journal_year                    2023
_chemical_formula_sum            'C48 H39 Ag B F4 N2 O2 P'
_chemical_formula_weight         901.46
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_cell_angle_alpha                98.070(2)
_cell_angle_beta                 103.124(2)
_cell_angle_gamma                106.865(2)
_cell_formula_units_Z            2
_cell_length_a                   10.2795(3)
_cell_length_b                   11.8100(3)
_cell_length_c                   18.7503(4)
_cell_measurement_reflns_used    9631
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.54
_cell_measurement_theta_min      2.50
_cell_volume                     2068.90(10)
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      296(2)
_diffrn_detector_area_resol_mean 7.3910
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker D8 Eco with PHOTON II detector'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0578
_diffrn_reflns_av_unetI/netI     0.0256
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            68781
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        24.997
_diffrn_reflns_theta_max         24.997
_diffrn_reflns_theta_min         2.502
_diffrn_source                   'sealed tube'
_exptl_absorpt_coefficient_mu    0.586
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6208
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 - Bruker AXS area detector scaling and absorption correction
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.447
_exptl_crystal_description       prism
_exptl_crystal_F_000             920
_exptl_crystal_size_max          0.450
_exptl_crystal_size_mid          0.220
_exptl_crystal_size_min          0.180
_refine_diff_density_max         0.531
_refine_diff_density_min         -0.321
_refine_diff_density_rms         0.050
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     534
_refine_ls_number_reflns         7274
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.052
_refine_ls_R_factor_all          0.0485
_refine_ls_R_factor_gt           0.0324
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0314P)²+1.4394P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0728
_refine_ls_wR_factor_ref         0.0790
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5969
_reflns_number_total             7274
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            GM50_22_0m.cif
_cod_data_source_block           GM50_22_0m_CIF
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'Multi-Scan' was
changed to 'multi-scan' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/current/MDPI/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 8170 2020-07-09 18:12:32Z antanas 
;
_cod_database_code               1570712
_shelx_shelxl_version_number     2018/3
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.778
_shelx_estimated_absorpt_t_max   0.902
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.47462(2) 0.57810(2) 0.18239(2) 0.04486(8) Uani 1 1 d . . . . .
B1 B 0.2123(5) 0.7786(4) 0.1984(2) 0.0638(10) Uani 1 1 d . . . . .
C1 C 0.2262(3) 0.4781(2) 0.02376(15) 0.0427(6) Uani 1 1 d . . . . .
N1 N 0.3574(2) 0.55305(18) 0.05892(11) 0.0363(5) Uani 1 1 d . . . . .
P1 P 0.50487(8) 0.51029(6) 0.29647(4) 0.03956(16) Uani 1 1 d . . . . .
F1 F 0.2741(3) 0.8668(2) 0.26175(12) 0.0972(7) Uani 1 1 d . . . . .
O1 O -0.3736(3) 0.1027(3) 0.18447(14) 0.0867(8) Uani 1 1 d . . . . .
F3 F 0.1181(4) 0.6853(3) 0.2127(2) 0.1568(14) Uani 1 1 d . . . . .
C3 C 0.2487(3) 0.5210(3) -0.09489(16) 0.0545(8) Uani 1 1 d . . . . .
H3 H 0.211741 0.508900 -0.146536 0.065 Uiso 1 1 calc R U . . .
N2 N 0.6234(2) 0.71683(19) 0.13368(12) 0.0391(5) Uani 1 1 d . . . . .
F2 F 0.3131(3) 0.7423(3) 0.17789(17) 0.1199(10) Uani 1 1 d . . . . .
O2 O 1.1291(3) 0.8794(2) 0.60394(12) 0.0754(7) Uani 1 1 d . . . . .
C2 C 0.1695(3) 0.4610(3) -0.05510(16) 0.0529(7) Uani 1 1 d . . . . .
H2 H 0.077827 0.408510 -0.079106 0.063 Uiso 1 1 calc R U . . .
C4 C 0.3862(3) 0.6014(3) -0.05922(15) 0.0457(7) Uani 1 1 d . . . . .
F4 F 0.1484(3) 0.8259(3) 0.14438(16) 0.1348(11) Uani 1 1 d . . . . .
C5 C 0.4370(3) 0.6157(2) 0.01903(14) 0.0376(6) Uani 1 1 d . . . . .
C11 C 0.8414(3) 0.8591(3) 0.13214(18) 0.0567(8) Uani 1 1 d . . . . .
H11 H 0.931296 0.912730 0.158624 0.068 Uiso 1 1 calc R U . . .
C10 C 0.7959(4) 0.8426(3) 0.05657(18) 0.0570(8) Uani 1 1 d . . . . .
H10 H 0.854820 0.884719 0.031147 0.068 Uiso 1 1 calc R U . . .
C9 C 0.5764(3) 0.6994(2) 0.05793(14) 0.0391(6) Uani 1 1 d . . . . .
C8 C 0.6609(3) 0.7625(3) 0.01662(16) 0.0461(7) Uani 1 1 d . . . . .
C7 C 0.6054(4) 0.7432(3) -0.06297(17) 0.0551(8) Uani 1 1 d . . . . .
H7 H 0.661375 0.783666 -0.090271 0.066 Uiso 1 1 calc R U . . .
C6 C 0.4742(4) 0.6678(3) -0.09861(16) 0.0541(8) Uani 1 1 d . . . . .
H6 H 0.439576 0.658354 -0.150189 0.065 Uiso 1 1 calc R U . . .
C12 C 0.7519(3) 0.7947(2) 0.17058(15) 0.0439(6) Uani 1 1 d . . . . .
C13 C 0.1422(3) 0.4166(3) 0.06847(16) 0.0492(7) Uani 1 1 d . . . . .
H13 H 0.177270 0.441686 0.120451 0.059 Uiso 1 1 calc R U . . .
C14 C 0.0187(3) 0.3269(3) 0.04023(17) 0.0517(7) Uani 1 1 d . . . . .
H14 H -0.010069 0.300192 -0.011729 0.062 Uiso 1 1 calc R U . . .
C15 C -0.0773(3) 0.2650(3) 0.07921(16) 0.0501(7) Uani 1 1 d . . . . .
C16 C -0.2000(3) 0.1718(3) 0.03835(19) 0.0625(9) Uani 1 1 d . . . . .
H16 H -0.215973 0.147759 -0.013178 0.075 Uiso 1 1 calc R U . . .
C17 C -0.2993(3) 0.1133(3) 0.07109(19) 0.0629(9) Uani 1 1 d . . . . .
H17 H -0.379604 0.049613 0.042004 0.076 Uiso 1 1 calc R U . . .
C18 C -0.2798(3) 0.1488(3) 0.14627(18) 0.0610(8) Uani 1 1 d . . . . .
C19 C -0.1588(4) 0.2429(4) 0.18889(19) 0.0789(11) Uani 1 1 d . . . . .
H19 H -0.145098 0.268197 0.240110 0.095 Uiso 1 1 calc R U . . .
C20 C -0.0593(4) 0.2989(3) 0.15586(18) 0.0704(10) Uani 1 1 d . . . . .
H20 H 0.022242 0.360952 0.185387 0.085 Uiso 1 1 calc R U . . .
C22 C 0.7960(3) 0.8102(2) 0.25200(16) 0.0475(7) Uani 1 1 d . . . . .
H22 H 0.725111 0.792795 0.276052 0.057 Uiso 1 1 calc R U . . .
C21 C -0.4953(4) 0.0011(4) 0.1451(2) 0.0851(12) Uani 1 1 d . . . . .
H21A H -0.557312 0.025389 0.108574 0.128 Uiso 1 1 calc R U . . .
H21B H -0.543930 -0.030266 0.179944 0.128 Uiso 1 1 calc R U . . .
H21C H -0.467024 -0.060590 0.120293 0.128 Uiso 1 1 calc R U . . .
C23 C 0.9298(3) 0.8474(3) 0.29463(16) 0.0496(7) Uani 1 1 d . . . . .
H23 H 0.999377 0.869639 0.270151 0.060 Uiso 1 1 calc R U . . .
C24 C 0.9797(3) 0.8571(3) 0.37514(16) 0.0491(7) Uani 1 1 d . . . . .
C25 C 0.8912(3) 0.8279(3) 0.42062(17) 0.0554(8) Uani 1 1 d . . . . .
H25 H 0.793654 0.802459 0.399461 0.067 Uiso 1 1 calc R U . . .
C26 C 0.9434(4) 0.8355(3) 0.49558(18) 0.0603(8) Uani 1 1 d . . . . .
H26 H 0.881341 0.814685 0.524502 0.072 Uiso 1 1 calc R U . . .
C27 C 1.0873(4) 0.8737(3) 0.52847(17) 0.0567(8) Uani 1 1 d . . . . .
C29 C 1.1238(3) 0.8949(3) 0.40939(18) 0.0655(9) Uani 1 1 d . . . . .
H29 H 1.186133 0.915225 0.380568 0.079 Uiso 1 1 calc R U . . .
C28 C 1.1778(4) 0.9034(4) 0.48515(19) 0.0723(10) Uani 1 1 d . . . . .
H28 H 1.275320 0.929116 0.506757 0.087 Uiso 1 1 calc R U . . .
C30 C 1.2763(5) 0.9302(4) 0.6414(2) 0.0949(14) Uani 1 1 d . . . . .
H30A H 1.324844 0.879790 0.622573 0.142 Uiso 1 1 calc R U . . .
H30B H 1.290950 0.935123 0.694345 0.142 Uiso 1 1 calc R U . . .
H30C H 1.312622 1.010002 0.632694 0.142 Uiso 1 1 calc R U . . .
C33 C 0.3676(3) 0.3739(3) 0.30011(15) 0.0475(7) Uani 1 1 d . . . . .
C34 C 0.3688(4) 0.2605(3) 0.26980(19) 0.0683(10) Uani 1 1 d . . . . .
H34 H 0.440658 0.253283 0.248957 0.082 Uiso 1 1 calc R U . . .
C35 C 0.2610(5) 0.1571(3) 0.2708(2) 0.0835(12) Uani 1 1 d . . . . .
H35 H 0.261551 0.080536 0.250954 0.100 Uiso 1 1 calc R U . . .
C36 C 0.1546(4) 0.1681(3) 0.3008(2) 0.0777(11) Uani 1 1 d . . . . .
H36 H 0.082880 0.098796 0.301035 0.093 Uiso 1 1 calc R U . . .
C37 C 0.1526(4) 0.2789(3) 0.3303(2) 0.0687(9) Uani 1 1 d . . . . .
H37 H 0.079964 0.285418 0.350706 0.082 Uiso 1 1 calc R U . . .
C38 C 0.2585(3) 0.3819(3) 0.32998(18) 0.0565(8) Uani 1 1 d . . . . .
H38 H 0.256454 0.457718 0.350119 0.068 Uiso 1 1 calc R U . . .
C39 C 0.5073(3) 0.6254(2) 0.37330(14) 0.0411(6) Uani 1 1 d . . . . .
C40 C 0.4505(4) 0.7131(3) 0.35570(18) 0.0669(9) Uani 1 1 d . . . . .
H40 H 0.411629 0.712286 0.305673 0.080 Uiso 1 1 calc R U . . .
C41 C 0.4506(5) 0.8029(4) 0.4120(2) 0.0915(14) Uani 1 1 d . . . . .
H41 H 0.411902 0.862135 0.399702 0.110 Uiso 1 1 calc R U . . .
C42 C 0.5074(4) 0.8044(4) 0.4856(2) 0.0773(11) Uani 1 1 d . . . . .
H42 H 0.506087 0.863946 0.523327 0.093 Uiso 1 1 calc R U . . .
C43 C 0.5652(4) 0.7199(3) 0.50347(17) 0.0616(9) Uani 1 1 d . . . . .
H43 H 0.604708 0.721866 0.553630 0.074 Uiso 1 1 calc R U . . .
C44 C 0.5664(3) 0.6310(3) 0.44847(15) 0.0529(7) Uani 1 1 d . . . . .
H44 H 0.607335 0.573555 0.461737 0.063 Uiso 1 1 calc R U . . .
C50 C 0.6934(4) 0.4145(3) 0.38378(18) 0.0644(9) Uani 1 1 d . . . . .
H50 H 0.618461 0.373032 0.400456 0.077 Uiso 1 1 calc R U . . .
C49 C 0.8279(5) 0.4093(4) 0.4126(2) 0.0841(12) Uani 1 1 d . . . . .
H49 H 0.842834 0.364513 0.448813 0.101 Uiso 1 1 calc R U . . .
C48 C 0.9386(5) 0.4694(4) 0.3882(3) 0.0867(13) Uani 1 1 d . . . . .
H48 H 1.028612 0.466577 0.408680 0.104 Uiso 1 1 calc R U . . .
C47 C 0.9180(4) 0.5333(4) 0.3343(2) 0.0778(11) Uani 1 1 d . . . . .
H47 H 0.993397 0.572973 0.317326 0.093 Uiso 1 1 calc R U . . .
C46 C 0.7843(3) 0.5391(3) 0.30477(18) 0.0545(7) Uani 1 1 d . . . . .
H46 H 0.770565 0.582098 0.267421 0.065 Uiso 1 1 calc R U . . .
C45 C 0.6710(3) 0.4823(3) 0.32967(15) 0.0466(7) Uani 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'
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'
N N 0.0061 0.0033 '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 N2 73.26(8) . . ?
N1 Ag1 P1 151.34(6) . . ?
N2 Ag1 P1 134.03(6) . . ?
F2 B1 F3 109.9(4) . . ?
F2 B1 F1 108.5(3) . . ?
F3 B1 F1 108.8(3) . . ?
F2 B1 F4 110.2(3) . . ?
F3 B1 F4 111.4(4) . . ?
F1 B1 F4 108.0(4) . . ?
N1 C1 C2 120.7(3) . . ?
N1 C1 C13 118.1(2) . . ?
C2 C1 C13 121.2(3) . . ?
C1 N1 C5 119.6(2) . . ?
C1 N1 Ag1 125.80(17) . . ?
C5 N1 Ag1 114.45(16) . . ?
C45 P1 C39 103.83(13) . . ?
C45 P1 C33 104.86(13) . . ?
C39 P1 C33 103.58(13) . . ?
C45 P1 Ag1 115.34(10) . . ?
C39 P1 Ag1 110.57(9) . . ?
C33 P1 Ag1 117.22(9) . . ?
C18 O1 C21 117.9(3) . . ?
C2 C3 C4 120.6(3) . . ?
C2 C3 H3 119.7 . . ?
C4 C3 H3 119.7 . . ?
C12 N2 C9 119.8(2) . . ?
C12 N2 Ag1 126.54(17) . . ?
C9 N2 Ag1 112.94(17) . . ?
C27 O2 C30 117.6(3) . . ?
C3 C2 C1 119.9(3) . . ?
C3 C2 H2 120.1 . . ?
C1 C2 H2 120.1 . . ?
C3 C4 C5 117.3(3) . . ?
C3 C4 C6 122.9(3) . . ?
C5 C4 C6 119.9(3) . . ?
N1 C5 C4 121.9(3) . . ?
N1 C5 C9 119.1(2) . . ?
C4 C5 C9 119.0(2) . . ?
C10 C11 C12 119.7(3) . . ?
C10 C11 H11 120.1 . . ?
C12 C11 H11 120.1 . . ?
C11 C10 C8 120.3(3) . . ?
C11 C10 H10 119.8 . . ?
C8 C10 H10 119.8 . . ?
N2 C9 C8 121.6(3) . . ?
N2 C9 C5 119.1(2) . . ?
C8 C9 C5 119.4(2) . . ?
C10 C8 C9 117.5(3) . . ?
C10 C8 C7 123.0(3) . . ?
C9 C8 C7 119.5(3) . . ?
C6 C7 C8 120.9(3) . . ?
C6 C7 H7 119.5 . . ?
C8 C7 H7 119.5 . . ?
C7 C6 C4 121.4(3) . . ?
C7 C6 H6 119.3 . . ?
C4 C6 H6 119.3 . . ?
N2 C12 C11 121.1(3) . . ?
N2 C12 C22 117.2(2) . . ?
C11 C12 C22 121.7(3) . . ?
C14 C13 C1 124.6(3) . . ?
C14 C13 H13 117.7 . . ?
C1 C13 H13 117.7 . . ?
C13 C14 C15 129.0(3) . . ?
C13 C14 H14 115.5 . . ?
C15 C14 H14 115.5 . . ?
C16 C15 C20 116.6(3) . . ?
C16 C15 C14 119.2(3) . . ?
C20 C15 C14 124.0(3) . . ?
C17 C16 C15 122.4(3) . . ?
C17 C16 H16 118.8 . . ?
C15 C16 H16 118.8 . . ?
C18 C17 C16 119.9(3) . . ?
C18 C17 H17 120.1 . . ?
C16 C17 H17 120.1 . . ?
O1 C18 C17 125.5(3) . . ?
O1 C18 C19 115.1(3) . . ?
C17 C18 C19 119.3(3) . . ?
C20 C19 C18 120.2(3) . . ?
C20 C19 H19 119.9 . . ?
C18 C19 H19 119.9 . . ?
C19 C20 C15 121.5(3) . . ?
C19 C20 H20 119.2 . . ?
C15 C20 H20 119.2 . . ?
C23 C22 C12 125.2(3) . . ?
C23 C22 H22 117.4 . . ?
C12 C22 H22 117.4 . . ?
O1 C21 H21A 109.5 . . ?
O1 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
O1 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C22 C23 C24 127.5(3) . . ?
C22 C23 H23 116.3 . . ?
C24 C23 H23 116.3 . . ?
C29 C24 C25 116.8(3) . . ?
C29 C24 C23 119.0(3) . . ?
C25 C24 C23 124.2(3) . . ?
C26 C25 C24 121.9(3) . . ?
C26 C25 H25 119.0 . . ?
C24 C25 H25 119.0 . . ?
C25 C26 C27 120.3(3) . . ?
C25 C26 H26 119.9 . . ?
C27 C26 H26 119.9 . . ?
O2 C27 C28 124.7(3) . . ?
O2 C27 C26 115.9(3) . . ?
C28 C27 C26 119.4(3) . . ?
C28 C29 C24 121.9(3) . . ?
C28 C29 H29 119.0 . . ?
C24 C29 H29 119.0 . . ?
C27 C28 C29 119.8(3) . . ?
C27 C28 H28 120.1 . . ?
C29 C28 H28 120.1 . . ?
O2 C30 H30A 109.5 . . ?
O2 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
O2 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C38 C33 C34 118.9(3) . . ?
C38 C33 P1 121.1(2) . . ?
C34 C33 P1 119.9(2) . . ?
C33 C34 C35 119.4(4) . . ?
C33 C34 H34 120.3 . . ?
C35 C34 H34 120.3 . . ?
C36 C35 C34 120.1(4) . . ?
C36 C35 H35 119.9 . . ?
C34 C35 H35 119.9 . . ?
C37 C36 C35 120.7(3) . . ?
C37 C36 H36 119.7 . . ?
C35 C36 H36 119.7 . . ?
C36 C37 C38 119.9(4) . . ?
C36 C37 H37 120.1 . . ?
C38 C37 H37 120.1 . . ?
C37 C38 C33 120.9(3) . . ?
C37 C38 H38 119.5 . . ?
C33 C38 H38 119.5 . . ?
C40 C39 C44 118.0(3) . . ?
C40 C39 P1 118.3(2) . . ?
C44 C39 P1 123.7(2) . . ?
C39 C40 C41 120.5(3) . . ?
C39 C40 H40 119.8 . . ?
C41 C40 H40 119.8 . . ?
C42 C41 C40 120.0(4) . . ?
C42 C41 H41 120.0 . . ?
C40 C41 H41 120.0 . . ?
C43 C42 C41 120.1(3) . . ?
C43 C42 H42 120.0 . . ?
C41 C42 H42 120.0 . . ?
C42 C43 C44 120.6(3) . . ?
C42 C43 H43 119.7 . . ?
C44 C43 H43 119.7 . . ?
C43 C44 C39 120.9(3) . . ?
C43 C44 H44 119.5 . . ?
C39 C44 H44 119.5 . . ?
C49 C50 C45 119.8(4) . . ?
C49 C50 H50 120.1 . . ?
C45 C50 H50 120.1 . . ?
C48 C49 C50 120.6(4) . . ?
C48 C49 H49 119.7 . . ?
C50 C49 H49 119.7 . . ?
C47 C48 C49 120.4(4) . . ?
C47 C48 H48 119.8 . . ?
C49 C48 H48 119.8 . . ?
C48 C47 C46 119.7(4) . . ?
C48 C47 H47 120.1 . . ?
C46 C47 H47 120.1 . . ?
C45 C46 C47 121.3(3) . . ?
C45 C46 H46 119.3 . . ?
C47 C46 H46 119.3 . . ?
C46 C45 C50 118.1(3) . . ?
C46 C45 P1 118.3(2) . . ?
C50 C45 P1 123.4(2) . . ?
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 2.287(2) . ?
Ag1 N2 2.336(2) . ?
Ag1 P1 2.3743(7) . ?
B1 F2 1.342(5) . ?
B1 F3 1.343(5) . ?
B1 F1 1.350(4) . ?
B1 F4 1.356(5) . ?
C1 N1 1.333(3) . ?
C1 C2 1.422(4) . ?
C1 C13 1.453(4) . ?
N1 C5 1.363(3) . ?
P1 C45 1.821(3) . ?
P1 C39 1.827(3) . ?
P1 C33 1.829(3) . ?
O1 C18 1.363(4) . ?
O1 C21 1.418(4) . ?
C3 C2 1.346(4) . ?
C3 C4 1.401(4) . ?
C3 H3 0.9300 . ?
N2 C12 1.330(3) . ?
N2 C9 1.357(3) . ?
O2 C27 1.368(4) . ?
O2 C30 1.420(5) . ?
C2 H2 0.9300 . ?
C4 C5 1.409(3) . ?
C4 C6 1.425(4) . ?
C5 C9 1.437(4) . ?
C11 C10 1.354(4) . ?
C11 C12 1.412(4) . ?
C11 H11 0.9300 . ?
C10 C8 1.396(4) . ?
C10 H10 0.9300 . ?
C9 C8 1.415(4) . ?
C8 C7 1.431(4) . ?
C7 C6 1.336(4) . ?
C7 H7 0.9300 . ?
C6 H6 0.9300 . ?
C12 C22 1.459(4) . ?
C13 C14 1.332(4) . ?
C13 H13 0.9300 . ?
C14 C15 1.449(4) . ?
C14 H14 0.9300 . ?
C15 C16 1.381(4) . ?
C15 C20 1.391(4) . ?
C16 C17 1.375(5) . ?
C16 H16 0.9300 . ?
C17 C18 1.364(5) . ?
C17 H17 0.9300 . ?
C18 C19 1.385(5) . ?
C19 C20 1.370(5) . ?
C19 H19 0.9300 . ?
C20 H20 0.9300 . ?
C22 C23 1.333(4) . ?
C22 H22 0.9300 . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
C23 C24 1.456(4) . ?
C23 H23 0.9300 . ?
C24 C29 1.382(4) . ?
C24 C25 1.387(4) . ?
C25 C26 1.366(4) . ?
C25 H25 0.9300 . ?
C26 C27 1.375(5) . ?
C26 H26 0.9300 . ?
C27 C28 1.372(5) . ?
C29 C28 1.381(5) . ?
C29 H29 0.9300 . ?
C28 H28 0.9300 . ?
C30 H30A 0.9600 . ?
C30 H30B 0.9600 . ?
C30 H30C 0.9600 . ?
C33 C38 1.383(4) . ?
C33 C34 1.384(4) . ?
C34 C35 1.397(5) . ?
C34 H34 0.9300 . ?
C35 C36 1.369(6) . ?
C35 H35 0.9300 . ?
C36 C37 1.354(5) . ?
C36 H36 0.9300 . ?
C37 C38 1.379(4) . ?
C37 H37 0.9300 . ?
C38 H38 0.9300 . ?
C39 C40 1.372(4) . ?
C39 C44 1.386(4) . ?
C40 C41 1.388(5) . ?
C40 H40 0.9300 . ?
C41 C42 1.365(5) . ?
C41 H41 0.9300 . ?
C42 C43 1.346(5) . ?
C42 H42 0.9300 . ?
C43 C44 1.369(4) . ?
C43 H43 0.9300 . ?
C44 H44 0.9300 . ?
C50 C49 1.388(5) . ?
C50 C45 1.397(4) . ?
C50 H50 0.9300 . ?
C49 C48 1.366(6) . ?
C49 H49 0.9300 . ?
C48 C47 1.358(6) . ?
C48 H48 0.9300 . ?
C47 C46 1.386(5) . ?
C47 H47 0.9300 . ?
C46 C45 1.381(4) . ?
C46 H46 0.9300 . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C2 C1 N1 C5 1.3(4) . . . . ?
C13 C1 N1 C5 -177.5(2) . . . . ?
C2 C1 N1 Ag1 -173.51(19) . . . . ?
C13 C1 N1 Ag1 7.7(3) . . . . ?
C4 C3 C2 C1 -0.8(5) . . . . ?
N1 C1 C2 C3 -0.1(4) . . . . ?
C13 C1 C2 C3 178.7(3) . . . . ?
C2 C3 C4 C5 0.4(4) . . . . ?
C2 C3 C4 C6 -179.6(3) . . . . ?
C1 N1 C5 C4 -1.7(4) . . . . ?
Ag1 N1 C5 C4 173.66(18) . . . . ?
C1 N1 C5 C9 177.8(2) . . . . ?
Ag1 N1 C5 C9 -6.9(3) . . . . ?
C3 C4 C5 N1 0.9(4) . . . . ?
C6 C4 C5 N1 -179.1(2) . . . . ?
C3 C4 C5 C9 -178.6(2) . . . . ?
C6 C4 C5 C9 1.4(4) . . . . ?
C12 C11 C10 C8 0.2(5) . . . . ?
C12 N2 C9 C8 -0.1(4) . . . . ?
Ag1 N2 C9 C8 -170.96(19) . . . . ?
C12 N2 C9 C5 -179.6(2) . . . . ?
Ag1 N2 C9 C5 9.5(3) . . . . ?
N1 C5 C9 N2 -2.0(3) . . . . ?
C4 C5 C9 N2 177.5(2) . . . . ?
N1 C5 C9 C8 178.4(2) . . . . ?
C4 C5 C9 C8 -2.1(4) . . . . ?
C11 C10 C8 C9 -0.9(4) . . . . ?
C11 C10 C8 C7 178.5(3) . . . . ?
N2 C9 C8 C10 0.8(4) . . . . ?
C5 C9 C8 C10 -179.7(2) . . . . ?
N2 C9 C8 C7 -178.6(2) . . . . ?
C5 C9 C8 C7 0.9(4) . . . . ?
C10 C8 C7 C6 -178.4(3) . . . . ?
C9 C8 C7 C6 0.9(4) . . . . ?
C8 C7 C6 C4 -1.7(5) . . . . ?
C3 C4 C6 C7 -179.5(3) . . . . ?
C5 C4 C6 C7 0.5(4) . . . . ?
C9 N2 C12 C11 -0.6(4) . . . . ?
Ag1 N2 C12 C11 168.9(2) . . . . ?
C9 N2 C12 C22 179.5(2) . . . . ?
Ag1 N2 C12 C22 -11.0(4) . . . . ?
C10 C11 C12 N2 0.5(5) . . . . ?
C10 C11 C12 C22 -179.6(3) . . . . ?
N1 C1 C13 C14 -169.8(3) . . . . ?
C2 C1 C13 C14 11.4(5) . . . . ?
C1 C13 C14 C15 -175.6(3) . . . . ?
C13 C14 C15 C16 -178.8(3) . . . . ?
C13 C14 C15 C20 5.9(5) . . . . ?
C20 C15 C16 C17 -0.9(5) . . . . ?
C14 C15 C16 C17 -176.6(3) . . . . ?
C15 C16 C17 C18 1.5(6) . . . . ?
C21 O1 C18 C17 6.9(6) . . . . ?
C21 O1 C18 C19 -176.0(4) . . . . ?
C16 C17 C18 O1 176.2(3) . . . . ?
C16 C17 C18 C19 -0.7(6) . . . . ?
O1 C18 C19 C20 -177.8(4) . . . . ?
C17 C18 C19 C20 -0.6(6) . . . . ?
C18 C19 C20 C15 1.2(6) . . . . ?
C16 C15 C20 C19 -0.4(6) . . . . ?
C14 C15 C20 C19 175.0(4) . . . . ?
N2 C12 C22 C23 155.2(3) . . . . ?
C11 C12 C22 C23 -24.7(5) . . . . ?
C12 C22 C23 C24 -175.8(3) . . . . ?
C22 C23 C24 C29 178.4(3) . . . . ?
C22 C23 C24 C25 0.0(5) . . . . ?
C29 C24 C25 C26 -0.2(5) . . . . ?
C23 C24 C25 C26 178.1(3) . . . . ?
C24 C25 C26 C27 0.5(5) . . . . ?
C30 O2 C27 C28 6.2(5) . . . . ?
C30 O2 C27 C26 -173.6(3) . . . . ?
C25 C26 C27 O2 179.4(3) . . . . ?
C25 C26 C27 C28 -0.4(5) . . . . ?
C25 C24 C29 C28 0.0(5) . . . . ?
C23 C24 C29 C28 -178.5(3) . . . . ?
O2 C27 C28 C29 -179.6(3) . . . . ?
C26 C27 C28 C29 0.2(6) . . . . ?
C24 C29 C28 C27 0.0(6) . . . . ?
C45 P1 C33 C38 134.4(2) . . . . ?
C39 P1 C33 C38 25.9(3) . . . . ?
Ag1 P1 C33 C38 -96.2(2) . . . . ?
C45 P1 C33 C34 -48.3(3) . . . . ?
C39 P1 C33 C34 -156.9(3) . . . . ?
Ag1 P1 C33 C34 81.1(3) . . . . ?
C38 C33 C34 C35 -0.7(5) . . . . ?
P1 C33 C34 C35 -178.0(3) . . . . ?
C33 C34 C35 C36 0.6(6) . . . . ?
C34 C35 C36 C37 -0.4(6) . . . . ?
C35 C36 C37 C38 0.2(6) . . . . ?
C36 C37 C38 C33 -0.2(5) . . . . ?
C34 C33 C38 C37 0.5(5) . . . . ?
P1 C33 C38 C37 177.8(2) . . . . ?
C45 P1 C39 C40 144.0(3) . . . . ?
C33 P1 C39 C40 -106.7(3) . . . . ?
Ag1 P1 C39 C40 19.7(3) . . . . ?
C45 P1 C39 C44 -34.5(3) . . . . ?
C33 P1 C39 C44 74.9(3) . . . . ?
Ag1 P1 C39 C44 -158.7(2) . . . . ?
C44 C39 C40 C41 -1.1(5) . . . . ?
P1 C39 C40 C41 -179.6(3) . . . . ?
C39 C40 C41 C42 0.0(7) . . . . ?
C40 C41 C42 C43 1.0(7) . . . . ?
C41 C42 C43 C44 -0.7(6) . . . . ?
C42 C43 C44 C39 -0.5(5) . . . . ?
C40 C39 C44 C43 1.4(5) . . . . ?
P1 C39 C44 C43 179.8(2) . . . . ?
C45 C50 C49 C48 -0.3(6) . . . . ?
C50 C49 C48 C47 -1.3(6) . . . . ?
C49 C48 C47 C46 1.1(6) . . . . ?
C48 C47 C46 C45 0.8(5) . . . . ?
C47 C46 C45 C50 -2.4(4) . . . . ?
C47 C46 C45 P1 172.4(3) . . . . ?
C49 C50 C45 C46 2.1(5) . . . . ?
C49 C50 C45 P1 -172.3(3) . . . . ?
C39 P1 C45 C46 -98.9(2) . . . . ?
C33 P1 C45 C46 152.7(2) . . . . ?
Ag1 P1 C45 C46 22.2(3) . . . . ?
C39 P1 C45 C50 75.5(3) . . . . ?
C33 P1 C45 C50 -32.9(3) . . . . ?
Ag1 P1 C45 C50 -163.4(2) . . . . ?
