#------------------------------------------------------------------------------
#$Date: 2025-08-06 00:06:02 +0200 (Wed 06 de Aug de 2025) $
#$Revision: 301598 $
#$URL: svn://www.crystallography.net/cod/cif/7/71/90/7719087.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_7719087
loop_
_publ_author_name
'Sabharwal, Gazal'
'Dwivedi, Khilesh C.'
'Balakrishna, Maravanji S.'
_publ_section_title
;
 Sterically hindered P,N-type amidophosphines
 {{(o-PPh₂)C₆H₄}C(O)NH(R)}:
 synthesis, transition metal chemistry, and catalytic activity in
 stereoselective Heck coupling of aryl chlorides.
;
_journal_issue                   30
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              11551
_journal_page_last               11562
_journal_paper_doi               10.1039/d5dt01353d
_journal_volume                  54
_journal_year                    2025
_chemical_formula_moiety         'C31 H31 Ag Br N O P'
_chemical_formula_sum            'C31 H31 Ag Br N O P'
_chemical_formula_weight         652.32
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_date             2023-06-21
_audit_creation_method
;
Olex2 1.5
(compiled 2023.03.06 svn.rbb2c1857 for OlexSys, GUI svn.r6748)
;
_audit_update_record
;
2025-06-04 deposited with the CCDC.	2025-07-10 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 101.545(6)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.039(2)
_cell_length_b                   19.088(5)
_cell_length_c                   16.471(4)
_cell_measurement_reflns_used    9976
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      28.21
_cell_measurement_theta_min      2.30
_cell_volume                     2784.4(12)
_computing_cell_refinement       'SAINT V8.40A (Bruker, 2019)'
_computing_data_reduction        'SAINT V8.40A (Bruker, 2019)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      150.00
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0667
_diffrn_reflns_av_unetI/netI     0.0360
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            56546
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.214
_diffrn_reflns_theta_min         2.300
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.241
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.4177
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1414 before and 0.0861 after correction.
The Ratio of minimum to maximum transmission is 0.5601.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.556
_exptl_crystal_description       block
_exptl_crystal_F_000             1316
_exptl_crystal_size_max          0.103
_exptl_crystal_size_mid          0.062
_exptl_crystal_size_min          0.049
_refine_diff_density_max         1.204
_refine_diff_density_min         -0.521
_refine_diff_density_rms         0.093
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.039
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     333
_refine_ls_number_reflns         6816
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.039
_refine_ls_R_factor_all          0.0361
_refine_ls_R_factor_gt           0.0295
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0379P)²+2.4882P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0770
_refine_ls_wR_factor_ref         0.0808
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5980
_reflns_number_total             6816
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d5dt01353d2.cif
_cod_data_source_block           Complex_4
_cod_depositor_comments
'Adding full bibliography for 7719085--7719094.cif.'
_cod_original_cell_volume        2784.3(12)
_cod_database_code               7719087
_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_max   0.898
_shelx_estimated_absorpt_t_min   0.802
_olex2_refinement_description
;
1.a Ternary CH refined with riding coordinates:
 C7(H7), C10(H10)
1.b Aromatic/amide H refined with riding coordinates:
 C18(H18), C17(H17), C16(H16), C5(H5), C4(H4), C3(H3), C21(H21), C22(H22),
 C23(H23), C24(H24), C25(H25), C31(H31), C30(H30), C29(H29), C28(H28), C27(H27)
1.c Idealised Me refined as rotating group:
 C9(H9A,H9B,H9C), C8(H8A,H8B,H8C), C12(H12A,H12B,H12C), C11(H11A,H11B,H11C)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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_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 0.06182(2) 0.47010(2) 0.40529(2) 0.02379(6) Uani 1 1 d . . . . .
Br1 Br 0.14018(3) 0.57842(2) 0.50998(2) 0.02320(7) Uani 1 1 d . . . . .
P1 P 0.09761(6) 0.44305(3) 0.26726(3) 0.01608(11) Uani 1 1 d . . . . .
O1 O 0.25092(18) 0.33993(9) 0.36379(10) 0.0239(3) Uani 1 1 d . . . . .
C15 C 0.5589(2) 0.41526(11) 0.28413(13) 0.0187(4) Uani 1 1 d . . . . .
N1 N 0.4971(2) 0.34662(9) 0.42886(11) 0.0161(3) Uani 1 1 d . . . . .
C19 C 0.2919(2) 0.44555(11) 0.24773(12) 0.0152(4) Uani 1 1 d . . . . .
C18 C 0.3252(3) 0.48773(11) 0.18414(13) 0.0185(4) Uani 1 1 d . . . . .
H18 H 0.246172 0.513150 0.149866 0.022 Uiso 1 1 calc R U . . .
C17 C 0.4721(3) 0.49321(12) 0.17006(14) 0.0208(4) Uani 1 1 d . . . . .
H17 H 0.491967 0.521651 0.126122 0.025 Uiso 1 1 calc R U . . .
C16 C 0.5893(3) 0.45705(12) 0.22032(14) 0.0207(4) Uani 1 1 d . . . . .
H16 H 0.689468 0.460872 0.211122 0.025 Uiso 1 1 calc R U . . .
C14 C 0.4121(2) 0.40916(11) 0.29875(12) 0.0148(4) Uani 1 1 d . . . . .
C13 C 0.3793(2) 0.36249(11) 0.36655(12) 0.0163(4) Uani 1 1 d . . . . .
C1 C 0.4829(2) 0.29482(11) 0.49027(12) 0.0152(4) Uani 1 1 d . . . . .
C6 C 0.5419(2) 0.22759(11) 0.48186(13) 0.0171(4) Uani 1 1 d . . . . .
C7 C 0.6220(3) 0.21075(12) 0.41118(14) 0.0224(4) Uani 1 1 d . . . . .
H7 H 0.673475 0.254534 0.398205 0.027 Uiso 1 1 calc R U . . .
C9 C 0.7428(3) 0.15391(14) 0.43206(17) 0.0320(6) Uani 1 1 d . . . . .
H9A H 0.814547 0.166881 0.482671 0.048 Uiso 1 1 calc R U . . .
H9B H 0.796456 0.149181 0.386210 0.048 Uiso 1 1 calc R U . . .
H9C H 0.694792 0.109235 0.440689 0.048 Uiso 1 1 calc R U . . .
C8 C 0.5049(3) 0.19089(13) 0.33328(14) 0.0270(5) Uani 1 1 d . . . . .
H8A H 0.436484 0.230470 0.316663 0.040 Uiso 1 1 calc R U . . .
H8B H 0.446752 0.150219 0.345367 0.040 Uiso 1 1 calc R U . . .
H8C H 0.556847 0.179323 0.288188 0.040 Uiso 1 1 calc R U . . .
C5 C 0.5213(3) 0.17659(12) 0.53944(14) 0.0226(4) Uani 1 1 d . . . . .
H5 H 0.561019 0.130868 0.535891 0.027 Uiso 1 1 calc R U . . .
C4 C 0.4433(3) 0.19204(13) 0.60179(14) 0.0241(5) Uani 1 1 d . . . . .
H4 H 0.426181 0.156261 0.638940 0.029 Uiso 1 1 calc R U . . .
C3 C 0.3902(3) 0.25931(12) 0.61030(13) 0.0199(4) Uani 1 1 d . . . . .
H3 H 0.339239 0.269308 0.654116 0.024 Uiso 1 1 calc R U . . .
C2 C 0.4105(2) 0.31251(11) 0.55540(12) 0.0165(4) Uani 1 1 d . . . . .
C10 C 0.3627(3) 0.38788(12) 0.56677(13) 0.0199(4) Uani 1 1 d . . . . .
H10 H 0.309720 0.405639 0.511444 0.024 Uiso 1 1 calc R U . . .
C12 C 0.2543(3) 0.39587(13) 0.62697(15) 0.0249(5) Uani 1 1 d . . . . .
H12A H 0.221622 0.444793 0.627549 0.037 Uiso 1 1 calc R U . . .
H12B H 0.305973 0.382161 0.682802 0.037 Uiso 1 1 calc R U . . .
H12C H 0.165983 0.365750 0.609006 0.037 Uiso 1 1 calc R U . . .
C11 C 0.5022(3) 0.43403(14) 0.59586(18) 0.0342(6) Uani 1 1 d . . . . .
H11A H 0.471695 0.483357 0.594144 0.051 Uiso 1 1 calc R U . . .
H11B H 0.574151 0.426903 0.559298 0.051 Uiso 1 1 calc R U . . .
H11C H 0.549983 0.421305 0.652714 0.051 Uiso 1 1 calc R U . . .
C20 C -0.0011(2) 0.51059(12) 0.19643(13) 0.0186(4) Uani 1 1 d . . . . .
C21 C -0.0089(3) 0.57823(13) 0.22780(15) 0.0239(5) Uani 1 1 d . . . . .
H21 H 0.037915 0.587951 0.283592 0.029 Uiso 1 1 calc R U . . .
C22 C -0.0845(3) 0.63169(14) 0.17841(17) 0.0290(5) Uani 1 1 d . . . . .
H22 H -0.088405 0.677424 0.200642 0.035 Uiso 1 1 calc R U . . .
C23 C -0.1540(3) 0.61818(15) 0.09690(16) 0.0314(6) Uani 1 1 d . . . . .
H23 H -0.204678 0.654628 0.063052 0.038 Uiso 1 1 calc R U . . .
C24 C -0.1489(3) 0.55112(16) 0.06519(16) 0.0335(6) Uani 1 1 d . . . . .
H24 H -0.197452 0.541629 0.009619 0.040 Uiso 1 1 calc R U . . .
C25 C -0.0726(3) 0.49716(14) 0.11437(15) 0.0272(5) Uani 1 1 d . . . . .
H25 H -0.069564 0.451438 0.091971 0.033 Uiso 1 1 calc R U . . .
C26 C 0.0158(2) 0.36151(12) 0.22130(13) 0.0193(4) Uani 1 1 d . . . . .
C31 C 0.0591(3) 0.33035(13) 0.15263(14) 0.0246(5) Uani 1 1 d . . . . .
H31 H 0.137493 0.350587 0.129649 0.030 Uiso 1 1 calc R U . . .
C30 C -0.0131(3) 0.26964(13) 0.11804(16) 0.0310(6) Uani 1 1 d . . . . .
H30 H 0.017916 0.248227 0.072112 0.037 Uiso 1 1 calc R U . . .
C29 C -0.1292(3) 0.24026(14) 0.14990(18) 0.0357(6) Uani 1 1 d . . . . .
H29 H -0.179700 0.199600 0.125135 0.043 Uiso 1 1 calc R U . . .
C28 C -0.1713(3) 0.27057(14) 0.21810(19) 0.0356(6) Uani 1 1 d . . . . .
H28 H -0.250883 0.250457 0.240206 0.043 Uiso 1 1 calc R U . . .
C27 C -0.0984(3) 0.33012(13) 0.25461(16) 0.0268(5) Uani 1 1 d . . . . .
H27 H -0.126251 0.349585 0.302470 0.032 Uiso 1 1 calc R U . . .
H1 H 0.582(4) 0.3663(17) 0.4305(19) 0.034(8) 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'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Br Br -0.2901 2.4595 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 '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
Br1 Ag1 Br1 92.938(16) 3_566 . ?
P1 Ag1 Br1 130.606(17) . 3_566 ?
P1 Ag1 Br1 134.327(18) . . ?
Ag1 Br1 Ag1 87.062(16) 3_566 . ?
C19 P1 Ag1 117.98(7) . . ?
C20 P1 Ag1 107.88(7) . . ?
C20 P1 C19 103.18(10) . . ?
C26 P1 Ag1 117.00(8) . . ?
C26 P1 C19 105.71(10) . . ?
C26 P1 C20 103.27(10) . . ?
C16 C15 C14 121.0(2) . . ?
C13 N1 C1 121.21(18) . . ?
C13 N1 H1 120(2) . . ?
C1 N1 H1 119(2) . . ?
C18 C19 P1 119.90(16) . . ?
C18 C19 C14 118.18(19) . . ?
C14 C19 P1 121.80(15) . . ?
C19 C18 H18 119.3 . . ?
C17 C18 C19 121.4(2) . . ?
C17 C18 H18 119.3 . . ?
C18 C17 H17 120.0 . . ?
C16 C17 C18 120.0(2) . . ?
C16 C17 H17 120.0 . . ?
C15 C16 C17 119.5(2) . . ?
C15 C16 H16 120.3 . . ?
C17 C16 H16 120.3 . . ?
C15 C14 C19 119.87(19) . . ?
C15 C14 C13 120.76(19) . . ?
C19 C14 C13 119.34(18) . . ?
O1 C13 N1 122.79(19) . . ?
O1 C13 C14 120.31(18) . . ?
N1 C13 C14 116.90(18) . . ?
C6 C1 N1 117.94(18) . . ?
C2 C1 N1 119.50(18) . . ?
C2 C1 C6 122.55(19) . . ?
C1 C6 C7 121.02(19) . . ?
C5 C6 C1 117.63(19) . . ?
C5 C6 C7 121.3(2) . . ?
C6 C7 H7 107.4 . . ?
C6 C7 C9 113.9(2) . . ?
C6 C7 C8 109.64(19) . . ?
C9 C7 H7 107.4 . . ?
C9 C7 C8 110.73(19) . . ?
C8 C7 H7 107.4 . . ?
C7 C9 H9A 109.5 . . ?
C7 C9 H9B 109.5 . . ?
C7 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C6 C5 H5 119.7 . . ?
C4 C5 C6 120.7(2) . . ?
C4 C5 H5 119.7 . . ?
C5 C4 H4 119.7 . . ?
C3 C4 C5 120.5(2) . . ?
C3 C4 H4 119.7 . . ?
C4 C3 H3 119.5 . . ?
C4 C3 C2 121.0(2) . . ?
C2 C3 H3 119.5 . . ?
C1 C2 C10 120.50(18) . . ?
C3 C2 C1 117.49(19) . . ?
C3 C2 C10 121.96(19) . . ?
C2 C10 H10 107.7 . . ?
C2 C10 C12 113.99(19) . . ?
C2 C10 C11 110.15(19) . . ?
C12 C10 H10 107.7 . . ?
C11 C10 H10 107.7 . . ?
C11 C10 C12 109.42(19) . . ?
C10 C12 H12A 109.5 . . ?
C10 C12 H12B 109.5 . . ?
C10 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C21 C20 P1 117.76(16) . . ?
C21 C20 C25 118.6(2) . . ?
C25 C20 P1 123.64(18) . . ?
C20 C21 H21 119.5 . . ?
C22 C21 C20 121.0(2) . . ?
C22 C21 H21 119.5 . . ?
C21 C22 H22 119.9 . . ?
C23 C22 C21 120.1(2) . . ?
C23 C22 H22 119.9 . . ?
C22 C23 H23 120.2 . . ?
C24 C23 C22 119.5(2) . . ?
C24 C23 H23 120.2 . . ?
C23 C24 H24 119.7 . . ?
C23 C24 C25 120.6(2) . . ?
C25 C24 H24 119.7 . . ?
C20 C25 C24 120.1(2) . . ?
C20 C25 H25 120.0 . . ?
C24 C25 H25 120.0 . . ?
C31 C26 P1 122.84(18) . . ?
C27 C26 P1 118.28(18) . . ?
C27 C26 C31 118.9(2) . . ?
C26 C31 H31 120.0 . . ?
C30 C31 C26 120.0(2) . . ?
C30 C31 H31 120.0 . . ?
C31 C30 H30 119.7 . . ?
C29 C30 C31 120.7(2) . . ?
C29 C30 H30 119.7 . . ?
C30 C29 H29 120.3 . . ?
C28 C29 C30 119.5(2) . . ?
C28 C29 H29 120.3 . . ?
C29 C28 H28 119.7 . . ?
C29 C28 C27 120.7(3) . . ?
C27 C28 H28 119.7 . . ?
C26 C27 H27 119.8 . . ?
C28 C27 C26 120.3(2) . . ?
C28 C27 H27 119.8 . . ?
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 Br1 2.6758(5) 3_566 ?
Ag1 Br1 2.6947(6) . ?
Ag1 P1 2.4154(7) . ?
P1 C19 1.848(2) . ?
P1 C20 1.844(2) . ?
P1 C26 1.822(2) . ?
O1 C13 1.230(3) . ?
C15 C16 1.390(3) . ?
C15 C14 1.400(3) . ?
N1 C13 1.357(3) . ?
N1 C1 1.439(3) . ?
N1 H1 0.85(3) . ?
C19 C18 1.401(3) . ?
C19 C14 1.415(3) . ?
C18 H18 0.9500 . ?
C18 C17 1.397(3) . ?
C17 H17 0.9500 . ?
C17 C16 1.390(3) . ?
C16 H16 0.9500 . ?
C14 C13 1.504(3) . ?
C1 C6 1.407(3) . ?
C1 C2 1.405(3) . ?
C6 C7 1.523(3) . ?
C6 C5 1.397(3) . ?
C7 H7 1.0000 . ?
C7 C9 1.529(3) . ?
C7 C8 1.539(3) . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C5 H5 0.9500 . ?
C5 C4 1.389(3) . ?
C4 H4 0.9500 . ?
C4 C3 1.388(3) . ?
C3 H3 0.9500 . ?
C3 C2 1.396(3) . ?
C2 C10 1.525(3) . ?
C10 H10 1.0000 . ?
C10 C12 1.535(3) . ?
C10 C11 1.534(3) . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C20 C21 1.398(3) . ?
C20 C25 1.400(3) . ?
C21 H21 0.9500 . ?
C21 C22 1.395(3) . ?
C22 H22 0.9500 . ?
C22 C23 1.388(4) . ?
C23 H23 0.9500 . ?
C23 C24 1.387(4) . ?
C24 H24 0.9500 . ?
C24 C25 1.403(4) . ?
C25 H25 0.9500 . ?
C26 C31 1.401(3) . ?
C26 C27 1.397(3) . ?
C31 H31 0.9500 . ?
C31 C30 1.394(3) . ?
C30 H30 0.9500 . ?
C30 C29 1.383(4) . ?
C29 H29 0.9500 . ?
C29 C28 1.383(4) . ?
C28 H28 0.9500 . ?
C28 C27 1.389(4) . ?
C27 H27 0.9500 . ?
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
Ag1 P1 C19 C18 -124.75(15) . . . . ?
Ag1 P1 C19 C14 51.25(19) . . . . ?
Ag1 P1 C20 C21 31.94(19) . . . . ?
Ag1 P1 C20 C25 -145.69(19) . . . . ?
Ag1 P1 C26 C31 -163.02(16) . . . . ?
Ag1 P1 C26 C27 19.0(2) . . . . ?
P1 C19 C18 C17 177.17(17) . . . . ?
P1 C19 C14 C15 -176.89(16) . . . . ?
P1 C19 C14 C13 5.0(3) . . . . ?
P1 C20 C21 C22 -178.62(19) . . . . ?
P1 C20 C25 C24 178.2(2) . . . . ?
P1 C26 C31 C30 -177.00(18) . . . . ?
P1 C26 C27 C28 175.57(19) . . . . ?
C15 C14 C13 O1 -157.3(2) . . . . ?
C15 C14 C13 N1 22.1(3) . . . . ?
N1 C1 C6 C7 1.6(3) . . . . ?
N1 C1 C6 C5 -177.00(19) . . . . ?
N1 C1 C2 C3 175.73(18) . . . . ?
N1 C1 C2 C10 -6.7(3) . . . . ?
C19 P1 C20 C21 -93.64(19) . . . . ?
C19 P1 C20 C25 88.7(2) . . . . ?
C19 P1 C26 C31 -29.4(2) . . . . ?
C19 P1 C26 C27 152.70(18) . . . . ?
C19 C18 C17 C16 -0.8(3) . . . . ?
C19 C14 C13 O1 20.8(3) . . . . ?
C19 C14 C13 N1 -159.83(19) . . . . ?
C18 C19 C14 C15 -0.8(3) . . . . ?
C18 C19 C14 C13 -178.93(18) . . . . ?
C18 C17 C16 C15 0.4(3) . . . . ?
C16 C15 C14 C19 0.4(3) . . . . ?
C16 C15 C14 C13 178.50(19) . . . . ?
C14 C15 C16 C17 -0.2(3) . . . . ?
C14 C19 C18 C17 1.0(3) . . . . ?
C13 N1 C1 C6 100.8(2) . . . . ?
C13 N1 C1 C2 -78.7(3) . . . . ?
C1 N1 C13 O1 8.2(3) . . . . ?
C1 N1 C13 C14 -171.13(18) . . . . ?
C1 C6 C7 C9 150.8(2) . . . . ?
C1 C6 C7 C8 -84.5(2) . . . . ?
C1 C6 C5 C4 0.9(3) . . . . ?
C1 C2 C10 C12 166.62(19) . . . . ?
C1 C2 C10 C11 -69.9(3) . . . . ?
C6 C1 C2 C3 -3.8(3) . . . . ?
C6 C1 C2 C10 173.79(19) . . . . ?
C6 C5 C4 C3 -2.9(4) . . . . ?
C7 C6 C5 C4 -177.7(2) . . . . ?
C5 C6 C7 C9 -30.7(3) . . . . ?
C5 C6 C7 C8 94.0(2) . . . . ?
C5 C4 C3 C2 1.5(4) . . . . ?
C4 C3 C2 C1 1.7(3) . . . . ?
C4 C3 C2 C10 -175.8(2) . . . . ?
C3 C2 C10 C12 -15.9(3) . . . . ?
C3 C2 C10 C11 107.5(2) . . . . ?
C2 C1 C6 C7 -178.92(19) . . . . ?
C2 C1 C6 C5 2.5(3) . . . . ?
C20 P1 C19 C18 -5.97(19) . . . . ?
C20 P1 C19 C14 170.03(17) . . . . ?
C20 P1 C26 C31 78.7(2) . . . . ?
C20 P1 C26 C27 -99.26(19) . . . . ?
C20 C21 C22 C23 0.3(4) . . . . ?
C21 C20 C25 C24 0.6(4) . . . . ?
C21 C22 C23 C24 0.6(4) . . . . ?
C22 C23 C24 C25 -0.8(4) . . . . ?
C23 C24 C25 C20 0.2(4) . . . . ?
C25 C20 C21 C22 -0.9(4) . . . . ?
C26 P1 C19 C18 102.14(18) . . . . ?
C26 P1 C19 C14 -81.86(18) . . . . ?
C26 P1 C20 C21 156.43(18) . . . . ?
C26 P1 C20 C25 -21.2(2) . . . . ?
C26 C31 C30 C29 1.1(4) . . . . ?
C31 C26 C27 C28 -2.4(3) . . . . ?
C31 C30 C29 C28 -1.7(4) . . . . ?
C30 C29 C28 C27 0.1(4) . . . . ?
C29 C28 C27 C26 1.9(4) . . . . ?
C27 C26 C31 C30 0.9(3) . . . . ?
