#------------------------------------------------------------------------------
#$Date: 2024-02-04 14:28:48 +0200 (Sun, 04 Feb 2024) $
#$Revision: 289623 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/15/97/7159743.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_7159743
loop_
_publ_author_name
'Hazarika, Roktopol'
'Dutta, Sanghamitra'
'Sarmah, Samprity'
'Hazarika, Priyanuj Krishnann'
'Singh, Kuldeep'
'Kumar, Arvind'
'Sarma, Bipul'
'Sarma, Diganta'
_publ_section_title
;
 PCy₃-assisted Ag(I)-catalyzed click reaction for
 regioselective synthesis of 1,4-disubstituted 1,2,3-triazoles at room
 temperature.
;
_journal_issue                   4
_journal_name_full               'Organic & biomolecular chemistry'
_journal_page_first              694
_journal_page_last               698
_journal_paper_doi               10.1039/d3ob01738a
_journal_volume                  22
_journal_year                    2024
_chemical_formula_sum            'C36 H55 Ag N O3 P2'
_chemical_formula_weight         719.62
_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-2014/7
_audit_update_record
;
2023-04-06 deposited with the CCDC.	2023-11-29 downloaded from the CCDC.
;
_cell_angle_alpha                94.658(6)
_cell_angle_beta                 96.469(6)
_cell_angle_gamma                116.368(6)
_cell_formula_units_Z            2
_cell_length_a                   9.262(2)
_cell_length_b                   9.837(2)
_cell_length_c                   23.332(5)
_cell_measurement_reflns_used    7014
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      26.06
_cell_measurement_theta_min      2.34
_cell_volume                     1871.8(7)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_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  0.0946
_diffrn_reflns_av_unetI/netI     0.0480
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            71962
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         25.998
_diffrn_reflns_theta_min         0.888
_exptl_absorpt_coefficient_mu    0.657
_exptl_absorpt_correction_T_max  0.870
_exptl_absorpt_correction_T_min  0.820
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.277
_exptl_crystal_description       block
_exptl_crystal_F_000             758
_exptl_crystal_size_max          0.340
_exptl_crystal_size_mid          0.250
_exptl_crystal_size_min          0.210
_refine_diff_density_max         0.862
_refine_diff_density_min         -0.666
_refine_diff_density_rms         0.084
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.067
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     406
_refine_ls_number_reflns         7362
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.067
_refine_ls_R_factor_all          0.0705
_refine_ls_R_factor_gt           0.0511
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0677P)²+1.7530P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1284
_refine_ls_wR_factor_ref         0.1406
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5751
_reflns_number_total             7362
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d3ob01738a2.cif
_cod_data_source_block           BS_RN_Ag_1_0m_a
_cod_depositor_comments
'Adding full bibliography for 7159742--7159743.cif.'
_cod_database_code               7159743
_shelx_shelxl_version_number     2014/7
_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   0.808
_shelx_estimated_absorpt_t_max   0.874
_exptl_absorpt_special_details   SADABS
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 0.43057(4) 0.65037(4) 0.74662(2) 0.04268(13) Uani 1 1 d . . . . .
P2 P 0.34982(13) 0.72082(12) 0.65524(5) 0.0380(2) Uani 1 1 d . . . . .
P1 P 0.34102(14) 0.60381(13) 0.84060(5) 0.0403(3) Uani 1 1 d . . . . .
C19 C 0.4777(5) 0.5741(5) 0.89661(18) 0.0428(10) Uani 1 1 d . . . . .
H19 H 0.4244 0.5531 0.9321 0.051 Uiso 1 1 calc R U . . .
O1 O 0.6243(6) 0.5475(6) 0.7337(3) 0.1010(15) Uani 1 1 d . . . . .
C1 C 0.1475(5) 0.5753(5) 0.61525(18) 0.0416(9) Uani 1 1 d . . . . .
H1 H 0.1242 0.6122 0.5783 0.050 Uiso 1 1 calc R U . . .
C31 C 0.3251(5) 0.8953(5) 0.67055(19) 0.0446(10) Uani 1 1 d . . . . .
H31 H 0.2441 0.8699 0.6979 0.054 Uiso 1 1 calc R U . . .
N1 N 0.7552(8) 0.6361(9) 0.7597(2) 0.0904(17) Uani 1 1 d . . . . .
C7 C 0.1350(6) 0.4398(5) 0.8327(2) 0.0491(11) Uani 1 1 d . . . . .
H7 H 0.0570 0.4818 0.8217 0.059 Uiso 1 1 calc R U . . .
C36 C 0.4804(6) 1.0290(5) 0.7042(2) 0.0581(13) Uani 1 1 d . . . . .
H36A H 0.5651 1.0620 0.6789 0.070 Uiso 1 1 calc R U . . .
H36B H 0.5214 0.9946 0.7383 0.070 Uiso 1 1 calc R U . . .
C6 C 0.0133(5) 0.5571(5) 0.6513(2) 0.0529(11) Uani 1 1 d . . . . .
H6A H 0.0391 0.5290 0.6895 0.063 Uiso 1 1 calc R U . . .
H6B H 0.0098 0.6561 0.6584 0.063 Uiso 1 1 calc R U . . .
C24 C 0.6424(6) 0.7169(5) 0.9140(2) 0.0553(12) Uani 1 1 d . . . . .
H24A H 0.6938 0.7453 0.8790 0.066 Uiso 1 1 calc R U . . .
H24B H 0.6253 0.8035 0.9306 0.066 Uiso 1 1 calc R U . . .
C30 C 0.4344(6) 0.7554(7) 0.5399(2) 0.0669(15) Uani 1 1 d . . . . .
C20 C 0.5003(6) 0.4354(5) 0.8758(2) 0.0527(11) Uani 1 1 d . . . . .
H20A H 0.3926 0.3430 0.8678 0.063 Uiso 1 1 calc R U . . .
H20B H 0.5451 0.4502 0.8390 0.063 Uiso 1 1 calc R U . . .
C25 C 0.4951(6) 0.7582(8) 0.6030(2) 0.0744(18) Uani 1 1 d . . . . .
C13 C 0.3245(7) 0.7743(6) 0.8734(2) 0.0603(13) Uani 1 1 d . . . . .
H13 H 0.4398 0.8576 0.8806 0.072 Uiso 1 1 calc R U . . .
C2 C 0.1457(6) 0.4217(5) 0.5994(2) 0.0569(12) Uani 1 1 d . . . . .
H2A H 0.2290 0.4344 0.5743 0.068 Uiso 1 1 calc R U . . .
H2B H 0.1749 0.3862 0.6354 0.068 Uiso 1 1 calc R U . . .
C14 C 0.2741(7) 0.7714(6) 0.9327(2) 0.0617(13) Uani 1 1 d . . . . .
H14A H 0.3521 0.7562 0.9608 0.074 Uiso 1 1 calc R U . . .
H14B H 0.1645 0.6840 0.9307 0.074 Uiso 1 1 calc R U . . .
C12 C 0.0857(7) 0.3672(6) 0.8878(2) 0.0613(13) Uani 1 1 d . . . . .
H12A H 0.1577 0.3214 0.9006 0.074 Uiso 1 1 calc R U . . .
H12B H 0.1004 0.4476 0.9195 0.074 Uiso 1 1 calc R U . . .
C32 C 0.2545(7) 0.9480(6) 0.6197(2) 0.0574(12) Uani 1 1 d . . . . .
H32A H 0.1506 0.8617 0.5992 0.069 Uiso 1 1 calc R U . . .
H32B H 0.3318 0.9804 0.5916 0.069 Uiso 1 1 calc R U . . .
C21 C 0.6143(6) 0.4101(6) 0.9206(2) 0.0645(14) Uani 1 1 d . . . . .
H21A H 0.5641 0.3844 0.9560 0.077 Uiso 1 1 calc R U . . .
H21B H 0.6303 0.3223 0.9046 0.077 Uiso 1 1 calc R U . . .
C3 C -0.0197(7) 0.3020(6) 0.5677(2) 0.0670(14) Uani 1 1 d . . . . .
H3A H -0.0451 0.3329 0.5300 0.080 Uiso 1 1 calc R U . . .
H3B H -0.0173 0.2027 0.5594 0.080 Uiso 1 1 calc R U . . .
C23 C 0.7559(6) 0.6894(7) 0.9587(2) 0.0658(14) Uani 1 1 d . . . . .
H23A H 0.8637 0.7815 0.9674 0.079 Uiso 1 1 calc R U . . .
H23B H 0.7102 0.6724 0.9953 0.079 Uiso 1 1 calc R U . . .
C5 C -0.1530(6) 0.4341(6) 0.6200(3) 0.0673(14) Uani 1 1 d . . . . .
H5A H -0.2355 0.4198 0.6455 0.081 Uiso 1 1 calc R U . . .
H5B H -0.1848 0.4686 0.5842 0.081 Uiso 1 1 calc R U . . .
C8 C 0.1015(7) 0.3158(6) 0.7828(2) 0.0670(14) Uani 1 1 d . . . . .
H8A H 0.1743 0.2683 0.7917 0.080 Uiso 1 1 calc R U . . .
H8B H 0.1274 0.3630 0.7470 0.080 Uiso 1 1 calc R U . . .
C35 C 0.4526(7) 1.1656(6) 0.7254(3) 0.0689(15) Uani 1 1 d . . . . .
H35A H 0.3799 1.1372 0.7550 0.083 Uiso 1 1 calc R U . . .
H35B H 0.5584 1.2527 0.7440 0.083 Uiso 1 1 calc R U . . .
C4 C -0.1517(7) 0.2828(6) 0.6039(3) 0.0674(14) Uani 1 1 d . . . . .
H4A H -0.2595 0.2078 0.5815 0.081 Uiso 1 1 calc R U . . .
H4B H -0.1322 0.2422 0.6398 0.081 Uiso 1 1 calc R U . . .
C9 C -0.0760(7) 0.1913(7) 0.7716(3) 0.0775(17) Uani 1 1 d . . . . .
H9A H -0.1482 0.2359 0.7576 0.093 Uiso 1 1 calc R U . . .
H9B H -0.0897 0.1093 0.7407 0.093 Uiso 1 1 calc R U . . .
C34 C 0.3773(7) 1.2143(6) 0.6759(3) 0.0707(15) Uani 1 1 d . . . . .
H34A H 0.4573 1.2578 0.6494 0.085 Uiso 1 1 calc R U . . .
H34B H 0.3509 1.2956 0.6916 0.085 Uiso 1 1 calc R U . . .
C33 C 0.2237(7) 1.0819(6) 0.6419(3) 0.0727(16) Uani 1 1 d . . . . .
H33A H 0.1821 1.1174 0.6083 0.087 Uiso 1 1 calc R U . . .
H33B H 0.1388 1.0464 0.6671 0.087 Uiso 1 1 calc R U . . .
O2 O 0.7672(8) 0.7668(7) 0.7733(3) 0.152(3) Uani 1 1 d . . . . .
C22 C 0.7782(7) 0.5512(7) 0.9367(3) 0.0714(16) Uani 1 1 d . . . . .
H22A H 0.8334 0.5716 0.9021 0.086 Uiso 1 1 calc R U . . .
H22B H 0.8481 0.5332 0.9673 0.086 Uiso 1 1 calc R U . . .
C17 C 0.2438(9) 0.9801(7) 0.8543(3) 0.0805(18) Uani 1 1 d . . . . .
H17A H 0.3571 1.0632 0.8587 0.097 Uiso 1 1 calc R U . . .
H17B H 0.1739 1.0038 0.8257 0.097 Uiso 1 1 calc R U . . .
C18 C 0.2390(9) 0.8287(7) 0.8312(3) 0.0833(19) Uani 1 1 d . . . . .
H18A H 0.1236 0.7497 0.8202 0.100 Uiso 1 1 calc R U . . .
H18B H 0.2893 0.8410 0.7954 0.100 Uiso 1 1 calc R U . . .
C10 C -0.1261(8) 0.1227(7) 0.8266(3) 0.0842(18) Uani 1 1 d . . . . .
H10A H -0.2444 0.0507 0.8191 0.101 Uiso 1 1 calc R U . . .
H10B H -0.0661 0.0640 0.8371 0.101 Uiso 1 1 calc R U . . .
C11 C -0.0911(8) 0.2440(7) 0.8763(3) 0.088(2) Uani 1 1 d . . . . .
H11A H -0.1173 0.1959 0.9119 0.105 Uiso 1 1 calc R U . . .
H11B H -0.1631 0.2926 0.8679 0.105 Uiso 1 1 calc R U . . .
C15 C 0.2700(10) 0.9208(8) 0.9542(3) 0.095(2) Uani 1 1 d . . . . .
H15A H 0.2171 0.9062 0.9893 0.114 Uiso 1 1 calc R U . . .
H15B H 0.3840 1.0022 0.9662 0.114 Uiso 1 1 calc R U . . .
C27 C 0.7670(8) 0.7964(9) 0.5815(3) 0.097(2) Uani 1 1 d . . . . .
C16 C 0.1854(11) 0.9748(8) 0.9125(3) 0.104(3) Uani 1 1 d . . . . .
H16A H 0.2040 1.0787 0.9284 0.125 Uiso 1 1 calc R U . . .
H16B H 0.0664 0.9057 0.9067 0.125 Uiso 1 1 calc R U . . .
C29A C 0.572(2) 0.8280(18) 0.5043(8) 0.067(4) Uani 0.5 1 d . . P A 2
O3 O 0.8565(9) 0.5945(13) 0.7706(4) 0.227(5) Uani 1 1 d . . . . .
C28 C 0.7095(12) 0.7959(15) 0.5182(4) 0.145(4) Uani 1 1 d . . . . .
C26A C 0.6149(17) 0.7101(19) 0.6150(7) 0.081(5) Uani 0.5 1 d . . P . .
C29B C 0.555(3) 0.742(2) 0.4977(8) 0.091(6) Uani 0.5 1 d . . P A .
C26B C 0.6616(14) 0.825(2) 0.6245(6) 0.086(5) Uani 0.5 1 d . . P . .
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'
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'
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'
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
P2 Ag1 P1 139.11(4) . . ?
P2 Ag1 O1 109.97(14) . . ?
P1 Ag1 O1 109.52(14) . . ?
C31 P2 C25 107.5(3) . . ?
C31 P2 C1 104.49(19) . . ?
C25 P2 C1 106.6(2) . . ?
C31 P2 Ag1 109.43(14) . . ?
C25 P2 Ag1 115.03(17) . . ?
C1 P2 Ag1 113.18(14) . . ?
C7 P1 C19 107.9(2) . . ?
C7 P1 C13 106.1(2) . . ?
C19 P1 C13 105.0(2) . . ?
C7 P1 Ag1 111.79(15) . . ?
C19 P1 Ag1 116.49(14) . . ?
C13 P1 Ag1 108.78(16) . . ?
C20 C19 C24 110.9(4) . . ?
C20 C19 P1 110.8(3) . . ?
C24 C19 P1 111.6(3) . . ?
C20 C19 H19 107.8 . . ?
C24 C19 H19 107.8 . . ?
P1 C19 H19 107.8 . . ?
N1 O1 Ag1 109.0(4) . . ?
C2 C1 C6 110.3(4) . . ?
C2 C1 P2 111.5(3) . . ?
C6 C1 P2 110.5(3) . . ?
C2 C1 H1 108.1 . . ?
C6 C1 H1 108.1 . . ?
P2 C1 H1 108.1 . . ?
C36 C31 C32 110.1(4) . . ?
C36 C31 P2 112.2(3) . . ?
C32 C31 P2 117.8(3) . . ?
C36 C31 H31 105.2 . . ?
C32 C31 H31 105.2 . . ?
P2 C31 H31 105.2 . . ?
O1 N1 O3 119.5(8) . . ?
O1 N1 O2 112.9(6) . . ?
O3 N1 O2 127.6(8) . . ?
C8 C7 C12 109.7(4) . . ?
C8 C7 P1 112.9(3) . . ?
C12 C7 P1 116.8(3) . . ?
C8 C7 H7 105.5 . . ?
C12 C7 H7 105.5 . . ?
P1 C7 H7 105.5 . . ?
C31 C36 C35 112.2(4) . . ?
C31 C36 H36A 109.2 . . ?
C35 C36 H36A 109.2 . . ?
C31 C36 H36B 109.2 . . ?
C35 C36 H36B 109.2 . . ?
H36A C36 H36B 107.9 . . ?
C5 C6 C1 111.2(4) . . ?
C5 C6 H6A 109.4 . . ?
C1 C6 H6A 109.4 . . ?
C5 C6 H6B 109.4 . . ?
C1 C6 H6B 109.4 . . ?
H6A C6 H6B 108.0 . . ?
C23 C24 C19 111.1(4) . . ?
C23 C24 H24A 109.4 . . ?
C19 C24 H24A 109.4 . . ?
C23 C24 H24B 109.4 . . ?
C19 C24 H24B 109.4 . . ?
H24A C24 H24B 108.0 . . ?
C25 C30 C29A 113.5(8) . . ?
C25 C30 C29B 112.0(9) . . ?
C29A C30 C29B 28.7(7) . . ?
C21 C20 C19 111.8(4) . . ?
C21 C20 H20A 109.2 . . ?
C19 C20 H20A 109.2 . . ?
C21 C20 H20B 109.2 . . ?
C19 C20 H20B 109.2 . . ?
H20A C20 H20B 107.9 . . ?
C26B C25 C26A 42.5(8) . . ?
C26B C25 C30 120.7(7) . . ?
C26A C25 C30 117.7(8) . . ?
C26B C25 P2 118.9(7) . . ?
C26A C25 P2 116.0(6) . . ?
C30 C25 P2 118.3(4) . . ?
C18 C13 C14 113.9(4) . . ?
C18 C13 P1 112.4(4) . . ?
C14 C13 P1 117.7(3) . . ?
C18 C13 H13 103.6 . . ?
C14 C13 H13 103.6 . . ?
P1 C13 H13 103.6 . . ?
C3 C2 C1 111.8(4) . . ?
C3 C2 H2A 109.3 . . ?
C1 C2 H2A 109.3 . . ?
C3 C2 H2B 109.3 . . ?
C1 C2 H2B 109.3 . . ?
H2A C2 H2B 107.9 . . ?
C13 C14 C15 111.4(4) . . ?
C13 C14 H14A 109.4 . . ?
C15 C14 H14A 109.4 . . ?
C13 C14 H14B 109.4 . . ?
C15 C14 H14B 109.4 . . ?
H14A C14 H14B 108.0 . . ?
C11 C12 C7 111.0(5) . . ?
C11 C12 H12A 109.4 . . ?
C7 C12 H12A 109.4 . . ?
C11 C12 H12B 109.4 . . ?
C7 C12 H12B 109.4 . . ?
H12A C12 H12B 108.0 . . ?
C31 C32 C33 110.3(4) . . ?
C31 C32 H32A 109.6 . . ?
C33 C32 H32A 109.6 . . ?
C31 C32 H32B 109.6 . . ?
C33 C32 H32B 109.6 . . ?
H32A C32 H32B 108.1 . . ?
C22 C21 C20 111.4(4) . . ?
C22 C21 H21A 109.4 . . ?
C20 C21 H21A 109.4 . . ?
C22 C21 H21B 109.4 . . ?
C20 C21 H21B 109.4 . . ?
H21A C21 H21B 108.0 . . ?
C4 C3 C2 110.9(4) . . ?
C4 C3 H3A 109.5 . . ?
C2 C3 H3A 109.5 . . ?
C4 C3 H3B 109.5 . . ?
C2 C3 H3B 109.5 . . ?
H3A C3 H3B 108.0 . . ?
C22 C23 C24 111.5(4) . . ?
C22 C23 H23A 109.3 . . ?
C24 C23 H23A 109.3 . . ?
C22 C23 H23B 109.3 . . ?
C24 C23 H23B 109.3 . . ?
H23A C23 H23B 108.0 . . ?
C4 C5 C6 111.8(4) . . ?
C4 C5 H5A 109.2 . . ?
C6 C5 H5A 109.2 . . ?
C4 C5 H5B 109.2 . . ?
C6 C5 H5B 109.2 . . ?
H5A C5 H5B 107.9 . . ?
C7 C8 C9 112.4(5) . . ?
C7 C8 H8A 109.1 . . ?
C9 C8 H8A 109.1 . . ?
C7 C8 H8B 109.1 . . ?
C9 C8 H8B 109.1 . . ?
H8A C8 H8B 107.9 . . ?
C34 C35 C36 111.3(5) . . ?
C34 C35 H35A 109.4 . . ?
C36 C35 H35A 109.4 . . ?
C34 C35 H35B 109.4 . . ?
C36 C35 H35B 109.4 . . ?
H35A C35 H35B 108.0 . . ?
C5 C4 C3 110.8(4) . . ?
C5 C4 H4A 109.5 . . ?
C3 C4 H4A 109.5 . . ?
C5 C4 H4B 109.5 . . ?
C3 C4 H4B 109.5 . . ?
H4A C4 H4B 108.1 . . ?
C10 C9 C8 111.4(5) . . ?
C10 C9 H9A 109.4 . . ?
C8 C9 H9A 109.4 . . ?
C10 C9 H9B 109.4 . . ?
C8 C9 H9B 109.4 . . ?
H9A C9 H9B 108.0 . . ?
C35 C34 C33 111.9(4) . . ?
C35 C34 H34A 109.2 . . ?
C33 C34 H34A 109.2 . . ?
C35 C34 H34B 109.2 . . ?
C33 C34 H34B 109.2 . . ?
H34A C34 H34B 107.9 . . ?
C34 C33 C32 111.7(5) . . ?
C34 C33 H33A 109.3 . . ?
C32 C33 H33A 109.3 . . ?
C34 C33 H33B 109.3 . . ?
C32 C33 H33B 109.3 . . ?
H33A C33 H33B 107.9 . . ?
C21 C22 C23 110.3(4) . . ?
C21 C22 H22A 109.6 . . ?
C23 C22 H22A 109.6 . . ?
C21 C22 H22B 109.6 . . ?
C23 C22 H22B 109.6 . . ?
H22A C22 H22B 108.1 . . ?
C16 C17 C18 111.8(5) . . ?
C16 C17 H17A 109.3 . . ?
C18 C17 H17A 109.3 . . ?
C16 C17 H17B 109.3 . . ?
C18 C17 H17B 109.3 . . ?
H17A C17 H17B 107.9 . . ?
C13 C18 C17 113.4(5) . . ?
C13 C18 H18A 108.9 . . ?
C17 C18 H18A 108.9 . . ?
C13 C18 H18B 108.9 . . ?
C17 C18 H18B 108.9 . . ?
H18A C18 H18B 107.7 . . ?
C11 C10 C9 111.4(5) . . ?
C11 C10 H10A 109.3 . . ?
C9 C10 H10A 109.3 . . ?
C11 C10 H10B 109.3 . . ?
C9 C10 H10B 109.3 . . ?
H10A C10 H10B 108.0 . . ?
C10 C11 C12 112.9(5) . . ?
C10 C11 H11A 109.0 . . ?
C12 C11 H11A 109.0 . . ?
C10 C11 H11B 109.0 . . ?
C12 C11 H11B 109.0 . . ?
H11A C11 H11B 107.8 . . ?
C16 C15 C14 116.0(5) . . ?
C16 C15 H15A 108.3 . . ?
C14 C15 H15A 108.3 . . ?
C16 C15 H15B 108.3 . . ?
C14 C15 H15B 108.3 . . ?
H15A C15 H15B 107.4 . . ?
C28 C27 C26B 114.0(7) . . ?
C28 C27 C26A 111.5(8) . . ?
C26B C27 C26A 37.0(7) . . ?
C15 C16 C17 111.7(6) . . ?
C15 C16 H16A 109.3 . . ?
C17 C16 H16A 109.3 . . ?
C15 C16 H16B 109.3 . . ?
C17 C16 H16B 109.3 . . ?
H16A C16 H16B 107.9 . . ?
C29B C29A C28 63(2) . . ?
C29B C29A C30 81(2) . . ?
C28 C29A C30 114.9(12) . . ?
C29B C28 C29A 32.5(9) . . ?
C29B C28 C27 121.0(10) . . ?
C29A C28 C27 118.1(9) . . ?
C26B C26A C25 68.4(11) . . ?
C26B C26A C27 69.0(12) . . ?
C25 C26A C27 111.4(9) . . ?
C29A C29B C28 84(3) . . ?
C29A C29B C30 70(2) . . ?
C28 C29B C30 119.5(13) . . ?
C26A C26B C25 69.1(11) . . ?
C26A C26B C27 74.0(14) . . ?
C25 C26B C27 114.6(10) . . ?
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 P2 2.4344(11) . ?
Ag1 P1 2.4376(12) . ?
Ag1 O1 2.454(4) . ?
P2 C31 1.842(4) . ?
P2 C25 1.853(5) . ?
P2 C1 1.854(4) . ?
P1 C7 1.849(5) . ?
P1 C19 1.848(4) . ?
P1 C13 1.862(5) . ?
C19 C20 1.520(6) . ?
C19 C24 1.526(6) . ?
C19 H19 1.0000 . ?
O1 N1 1.186(7) . ?
C1 C2 1.519(6) . ?
C1 C6 1.531(6) . ?
C1 H1 1.0000 . ?
C31 C36 1.521(6) . ?
C31 C32 1.527(6) . ?
C31 H31 1.0000 . ?
N1 O3 1.190(8) . ?
N1 O2 1.251(8) . ?
C7 C8 1.514(7) . ?
C7 C12 1.536(6) . ?
C7 H7 1.0000 . ?
C36 C35 1.531(7) . ?
C36 H36A 0.9900 . ?
C36 H36B 0.9900 . ?
C6 C5 1.522(7) . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C24 C23 1.522(7) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C30 C25 1.510(7) . ?
C30 C29A 1.534(18) . ?
C30 C29B 1.609(19) . ?
C20 C21 1.514(6) . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C25 C26B 1.391(12) . ?
C25 C26A 1.398(12) . ?
C13 C18 1.473(7) . ?
C13 C14 1.508(7) . ?
C13 H13 1.0000 . ?
C2 C3 1.510(7) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C14 C15 1.532(7) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C12 C11 1.519(8) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C32 C33 1.530(7) . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
C21 C22 1.512(8) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C3 C4 1.515(8) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C23 C22 1.521(7) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C5 C4 1.511(7) . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C8 C9 1.528(7) . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C35 C34 1.501(8) . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C9 C10 1.522(9) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C34 C33 1.510(8) . ?
C34 H34A 0.9900 . ?
C34 H34B 0.9900 . ?
C33 H33A 0.9900 . ?
C33 H33B 0.9900 . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C17 C16 1.514(9) . ?
C17 C18 1.522(7) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C10 C11 1.489(9) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C15 C16 1.458(9) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C27 C28 1.512(11) . ?
C27 C26B 1.568(15) . ?
C27 C26A 1.615(14) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C29A C29B 0.782(19) . ?
C29A C28 1.449(19) . ?
C28 C29B 1.30(2) . ?
C26A C26B 1.011(18) . ?
