#------------------------------------------------------------------------------
#$Date: 2021-07-05 19:45:15 +0200 (lun 05 de jul de 2021) $
#$Revision: 267200 $
#$URL: svn://www.crystallography.net/cod/cif/7/70/72/7707274.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_7707274
loop_
_publ_author_name
'Jha, Vikesh Kumar'
'Das, Sanghamitra'
'Subramaniyan, Vasudevan'
'Guchhait, Tapas'
'Dakua, Kishan Kumar'
'Mishra, Sabyashachi'
'Mani, Ganesan'
_publ_section_title
;
 Synthesis, structural characterization, and bonding analysis of
 two-coordinate copper(I) and silver(I) complexes of pyrrole-based
 bis(phosphinimine): new metal-pyrrole ring π-interactions.
;
_journal_issue                   23
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              8036
_journal_page_last               8044
_journal_paper_doi               10.1039/d1dt01091c
_journal_volume                  50
_journal_year                    2021
_chemical_formula_moiety         'C36 H45 Ag N3 P2 Si2, C4 H8 O, B F4'
_chemical_formula_sum            'C40 H53 Ag B F4 N3 O P2 Si2'
_chemical_formula_weight         904.65
_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   mixed
_atom_sites_solution_primary     dual
_audit_creation_date             2021-03-17
_audit_creation_method
;
Olex2 1.3-alpha
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_audit_update_record
;
2021-03-31 deposited with the CCDC.	2021-04-29 downloaded from the CCDC.
;
_cell_angle_alpha                104.166(4)
_cell_angle_beta                 105.854(3)
_cell_angle_gamma                94.077(4)
_cell_formula_units_Z            2
_cell_length_a                   10.9222(13)
_cell_length_b                   13.9473(17)
_cell_length_c                   15.3874(18)
_cell_measurement_reflns_used    25086
_cell_measurement_temperature    100.15
_cell_measurement_theta_max      25
_cell_measurement_theta_min      1.5
_cell_volume                     2162.3(5)
_computing_molecular_graphics    'Olex2 1.3-alpha (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3-alpha (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT  (Sheldrick, 2015)'
_diffrn_ambient_temperature      100.15
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  'Bruker-APEX II'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0614
_diffrn_reflns_av_unetI/netI     0.0647
_diffrn_reflns_Laue_measured_fraction_full 0.983
_diffrn_reflns_Laue_measured_fraction_max 0.983
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            25086
_diffrn_reflns_point_group_measured_fraction_full 0.983
_diffrn_reflns_point_group_measured_fraction_max 0.983
_diffrn_reflns_theta_full        24.827
_diffrn_reflns_theta_max         24.827
_diffrn_reflns_theta_min         1.523
_exptl_absorpt_coefficient_mu    0.647
_exptl_absorpt_correction_T_max  1.00
_exptl_absorpt_correction_T_min  0.93
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.389
_exptl_crystal_description       prism
_exptl_crystal_F_000             936
_exptl_crystal_size_max          0.157
_exptl_crystal_size_mid          0.114
_exptl_crystal_size_min          0.064
_refine_diff_density_max         0.432
_refine_diff_density_min         -0.571
_refine_diff_density_rms         0.087
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.054
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     491
_refine_ls_number_reflns         7344
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.054
_refine_ls_R_factor_all          0.0598
_refine_ls_R_factor_gt           0.0414
_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)+(0.0339P)²+0.6801P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0836
_refine_ls_wR_factor_ref         0.0920
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5758
_reflns_number_total             7344
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1dt01091c2.cif
_cod_data_source_block           AgBF4
_cod_depositor_comments
'Adding full bibliography for 7707271--7707274.cif.'
_cod_original_cell_volume        2162.3(4)
_cod_database_code               7707274
_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   0.960
_shelx_estimated_absorpt_t_min   0.905
_olex2_refinement_description
;
1.a Secondary CH2 refined with riding coordinates:
 C16(H16A,H16B), C21(H21A,H21B), C37(H37A,H37B), C38(H38A,H38B), C39(H39A,
 H39B), C40(H40A,H40B)
1.b Me refined with riding coordinates:
 C1(H1A,H1B,H1C), C2(H2A,H2B,H2C), C3(H3A,H3B,H3C), C34(H34A,H34B,H34C),
 C35(H35A,H35B,H35C), C36(H36A,H36B,H36C)
1.c Aromatic/amide H refined with riding coordinates:
 C5(H5), C6(H6), C7(H7), C8(H8), C9(H9), C11(H11), C12(H12), C13(H13),
 C14(H14), C15(H15), C18(H18), C19(H19), C23(H23), C24(H24), C25(H25), C26(H26),
  C27(H27), C29(H29), C30(H30), C31(H31), C32(H32), C33(H33)
;
_olex2_submission_special_instructions 'No special instructions were received'
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
C1 C 0.2210(4) 0.7708(3) 0.2767(3) 0.0340(10) Uani 1 1 d . . . . .
H1A H 0.171344 0.767496 0.320432 0.051 Uiso 1 1 calc R U . . .
H1B H 0.226207 0.837838 0.267449 0.051 Uiso 1 1 calc R U . . .
H1C H 0.178627 0.721318 0.216284 0.051 Uiso 1 1 calc R U . . .
C2 C 0.4716(4) 0.8405(3) 0.4394(3) 0.0317(10) Uani 1 1 d . . . . .
H2A H 0.423760 0.839720 0.484682 0.048 Uiso 1 1 calc R U . . .
H2B H 0.558587 0.825779 0.464634 0.048 Uiso 1 1 calc R U . . .
H2C H 0.476899 0.906576 0.428094 0.048 Uiso 1 1 calc R U . . .
C3 C 0.3767(4) 0.6204(3) 0.3542(3) 0.0373(11) Uani 1 1 d . . . . .
H3A H 0.325182 0.621737 0.397515 0.056 Uiso 1 1 calc R U . . .
H3B H 0.336177 0.566951 0.296198 0.056 Uiso 1 1 calc R U . . .
H3C H 0.463511 0.608092 0.383678 0.056 Uiso 1 1 calc R U . . .
C4 C 0.3928(3) 0.5508(3) 0.1359(2) 0.0208(8) Uani 1 1 d . . . . .
C5 C 0.2604(4) 0.5501(3) 0.0991(3) 0.0265(9) Uani 1 1 d . . . . .
H5 H 0.229348 0.608358 0.085550 0.032 Uiso 1 1 calc R U . . .
C6 C 0.1751(4) 0.4654(3) 0.0824(3) 0.0284(9) Uani 1 1 d . . . . .
H6 H 0.085325 0.465755 0.057994 0.034 Uiso 1 1 calc R U . . .
C7 C 0.2193(4) 0.3797(3) 0.1011(3) 0.0298(9) Uani 1 1 d . . . . .
H7 H 0.159867 0.321542 0.089581 0.036 Uiso 1 1 calc R U . . .
C8 C 0.3490(4) 0.3788(3) 0.1363(3) 0.0284(9) Uani 1 1 d . . . . .
H8 H 0.378958 0.319736 0.148520 0.034 Uiso 1 1 calc R U . . .
C9 C 0.4363(4) 0.4634(3) 0.1540(2) 0.0244(9) Uani 1 1 d . . . . .
H9 H 0.525878 0.462194 0.178484 0.029 Uiso 1 1 calc R U . . .
C10 C 0.6635(3) 0.6383(3) 0.1993(2) 0.0222(8) Uani 1 1 d . . . . .
C11 C 0.7145(4) 0.5809(3) 0.1333(3) 0.0285(9) Uani 1 1 d . . . . .
H11 H 0.663048 0.554513 0.069678 0.034 Uiso 1 1 calc R U . . .
C12 C 0.8402(4) 0.5630(3) 0.1611(3) 0.0353(10) Uani 1 1 d . . . . .
H12 H 0.875601 0.524743 0.116382 0.042 Uiso 1 1 calc R U . . .
C13 C 0.9141(4) 0.6003(3) 0.2533(3) 0.0360(10) Uani 1 1 d . . . . .
H13 H 1.000575 0.587918 0.271942 0.043 Uiso 1 1 calc R U . . .
C14 C 0.8637(4) 0.6555(3) 0.3190(3) 0.0350(10) Uani 1 1 d . . . . .
H14 H 0.915064 0.680475 0.382716 0.042 Uiso 1 1 calc R U . . .
C15 C 0.7386(4) 0.6745(3) 0.2920(3) 0.0273(9) Uani 1 1 d . . . . .
H15 H 0.703913 0.712530 0.337247 0.033 Uiso 1 1 calc R U . . .
C16 C 0.4774(3) 0.7011(3) 0.0584(2) 0.0217(8) Uani 1 1 d . . . . .
H16A H 0.497520 0.646932 0.011741 0.026 Uiso 1 1 calc R U . . .
H16B H 0.385958 0.708449 0.033242 0.026 Uiso 1 1 calc R U . . .
C17 C 0.5601(3) 0.7966(3) 0.0710(2) 0.0221(8) Uani 1 1 d . . . . .
C18 C 0.6872(4) 0.8165(3) 0.0788(2) 0.0262(9) Uani 1 1 d . . . . .
H18 H 0.743992 0.768529 0.071991 0.031 Uiso 1 1 calc R U . . .
C19 C 0.7194(4) 0.9207(3) 0.0987(2) 0.0248(9) Uani 1 1 d . . . . .
H19 H 0.801961 0.955389 0.107841 0.030 Uiso 1 1 calc R U . . .
C20 C 0.6115(3) 0.9636(3) 0.1025(2) 0.0197(8) Uani 1 1 d . . . . .
C21 C 0.5979(3) 1.0719(3) 0.1293(2) 0.0215(8) Uani 1 1 d . . . . .
H21A H 0.526373 1.085108 0.080272 0.026 Uiso 1 1 calc R U . . .
H21B H 0.677854 1.112558 0.132553 0.026 Uiso 1 1 calc R U . . .
C22 C 0.6059(3) 1.2436(3) 0.2821(2) 0.0207(8) Uani 1 1 d . . . . .
C23 C 0.6963(3) 1.2969(3) 0.2555(3) 0.0257(9) Uani 1 1 d . . . . .
H23 H 0.732410 1.263492 0.209017 0.031 Uiso 1 1 calc R U . . .
C24 C 0.7327(4) 1.3988(3) 0.2975(3) 0.0297(9) Uani 1 1 d . . . . .
H24 H 0.794107 1.434930 0.279534 0.036 Uiso 1 1 calc R U . . .
C25 C 0.6813(4) 1.4478(3) 0.3647(3) 0.0344(10) Uani 1 1 d . . . . .
H25 H 0.708995 1.517285 0.393771 0.041 Uiso 1 1 calc R U . . .
C26 C 0.5892(4) 1.3974(3) 0.3907(3) 0.0331(10) Uani 1 1 d . . . . .
H26 H 0.552477 1.431949 0.436353 0.040 Uiso 1 1 calc R U . . .
C27 C 0.5516(4) 1.2952(3) 0.3486(3) 0.0274(9) Uani 1 1 d . . . . .
H27 H 0.487953 1.260042 0.365355 0.033 Uiso 1 1 calc R U . . .
C28 C 0.3953(3) 1.0829(2) 0.2186(2) 0.0189(8) Uani 1 1 d . . . . .
C29 C 0.3105(3) 1.0978(3) 0.1386(3) 0.0252(9) Uani 1 1 d . . . . .
H29 H 0.343263 1.119599 0.094379 0.030 Uiso 1 1 calc R U . . .
C30 C 0.1795(4) 1.0810(3) 0.1232(3) 0.0332(10) Uani 1 1 d . . . . .
H30 H 0.122456 1.091411 0.068541 0.040 Uiso 1 1 calc R U . . .
C31 C 0.1307(4) 1.0491(3) 0.1869(3) 0.0353(10) Uani 1 1 d . . . . .
H31 H 0.040307 1.036862 0.175533 0.042 Uiso 1 1 calc R U . . .
C32 C 0.2130(3) 1.0350(3) 0.2670(3) 0.0304(9) Uani 1 1 d . . . . .
H32 H 0.179484 1.013876 0.311196 0.036 Uiso 1 1 calc R U . . .
C33 C 0.3448(3) 1.0519(3) 0.2825(3) 0.0222(8) Uani 1 1 d . . . . .
H33 H 0.401441 1.042097 0.337671 0.027 Uiso 1 1 calc R U . . .
C34 C 0.9161(4) 1.0692(3) 0.3330(3) 0.0415(11) Uani 1 1 d . . . . .
H34A H 1.002164 1.087556 0.378670 0.062 Uiso 1 1 calc R U . . .
H34B H 0.904302 0.998862 0.297400 0.062 Uiso 1 1 calc R U . . .
H34C H 0.906680 1.111324 0.289752 0.062 Uiso 1 1 calc R U . . .
C35 C 0.8278(4) 1.2200(3) 0.4694(3) 0.0357(10) Uani 1 1 d . . . . .
H35A H 0.915889 1.233231 0.512015 0.054 Uiso 1 1 calc R U . . .
H35B H 0.818900 1.264871 0.428722 0.054 Uiso 1 1 calc R U . . .
H35C H 0.767127 1.231293 0.506127 0.054 Uiso 1 1 calc R U . . .
C36 C 0.8068(4) 1.0056(3) 0.4754(3) 0.0347(10) Uani 1 1 d . . . . .
H36A H 0.893017 1.021370 0.520885 0.052 Uiso 1 1 calc R U . . .
H36B H 0.742284 1.016304 0.508953 0.052 Uiso 1 1 calc R U . . .
H36C H 0.792323 0.935568 0.438317 0.052 Uiso 1 1 calc R U . . .
C37 C 0.7633(5) 0.7005(4) 0.5807(3) 0.0503(13) Uani 1 1 d . . . . .
H37A H 0.672631 0.677679 0.541654 0.060 Uiso 1 1 calc R U . . .
H37B H 0.781848 0.773755 0.592056 0.060 Uiso 1 1 calc R U . . .
C38 C 0.7848(5) 0.6748(3) 0.6733(3) 0.0478(12) Uani 1 1 d . . . . .
H38A H 0.785876 0.734090 0.724544 0.057 Uiso 1 1 calc R U . . .
H38B H 0.717506 0.620927 0.668983 0.057 Uiso 1 1 calc R U . . .
C39 C 0.9138(5) 0.6407(4) 0.6884(3) 0.0594(14) Uani 1 1 d . . . . .
H39A H 0.983892 0.697593 0.721949 0.071 Uiso 1 1 calc R U . . .
H39B H 0.921153 0.590419 0.724468 0.071 Uiso 1 1 calc R U . . .
C40 C 0.9167(4) 0.5959(4) 0.5905(3) 0.0553(14) Uani 1 1 d . . . . .
H40A H 1.006454 0.599572 0.588051 0.066 Uiso 1 1 calc R U . . .
H40B H 0.876538 0.524856 0.567904 0.066 Uiso 1 1 calc R U . . .
N1 N 0.4760(3) 0.7490(2) 0.2499(2) 0.0227(7) Uani 1 1 d . . . . .
N2 N 0.5142(3) 0.8871(2) 0.0860(2) 0.0198(7) Uani 1 1 d . . . . .
N3 N 0.6388(3) 1.0566(2) 0.31760(19) 0.0181(6) Uani 1 1 d . . . . .
O1 O 0.8461(3) 0.6525(2) 0.5342(2) 0.0491(8) Uani 1 1 d . . . . .
F1 F 0.1302(2) 0.8289(2) -0.10656(19) 0.0579(7) Uani 1 1 d . . . . .
F2 F 0.2463(2) 0.84043(18) 0.04424(19) 0.0538(7) Uani 1 1 d . . . . .
F3 F 0.1504(3) 0.69046(19) -0.0563(2) 0.0771(10) Uani 1 1 d . . . . .
F4 F 0.0301(2) 0.8025(2) -0.00313(18) 0.0536(7) Uani 1 1 d . . . . .
Si1 Si 0.38663(11) 0.74353(8) 0.32618(7) 0.0259(3) Uani 1 1 d . . . . .
Si2 Si 0.79286(10) 1.08813(8) 0.39591(7) 0.0246(2) Uani 1 1 d . . . . .
P1 P 0.50007(9) 0.66606(7) 0.16755(6) 0.0211(2) Uani 1 1 d . . . . .
P2 P 0.56633(9) 1.10938(7) 0.24203(6) 0.0182(2) Uani 1 1 d . . . . .
Ag1 Ag 0.56454(3) 0.89993(2) 0.27786(2) 0.02151(10) Uani 1 1 d . . . . .
B1 B 0.1382(5) 0.7899(4) -0.0311(4) 0.0371(12) Uani 1 1 d . . . . .
H2 H 0.434(4) 0.892(3) 0.081(3) 0.035(12) 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'
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'
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'
Si Si 0.0817 0.0704 '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
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
Si1 C1 H1A 109.5 . . ?
Si1 C1 H1B 109.5 . . ?
Si1 C1 H1C 109.5 . . ?
H2A C2 H2B 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
Si1 C2 H2A 109.5 . . ?
Si1 C2 H2B 109.5 . . ?
Si1 C2 H2C 109.5 . . ?
H3A C3 H3B 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
Si1 C3 H3A 109.5 . . ?
Si1 C3 H3B 109.5 . . ?
Si1 C3 H3C 109.5 . . ?
C5 C4 C9 118.7(3) . . ?
C5 C4 P1 119.1(3) . . ?
C9 C4 P1 122.0(3) . . ?
C4 C5 H5 119.8 . . ?
C6 C5 C4 120.4(3) . . ?
C6 C5 H5 119.8 . . ?
C5 C6 H6 119.8 . . ?
C5 C6 C7 120.4(4) . . ?
C7 C6 H6 119.8 . . ?
C6 C7 H7 120.0 . . ?
C8 C7 C6 120.0(4) . . ?
C8 C7 H7 120.0 . . ?
C7 C8 H8 119.8 . . ?
C7 C8 C9 120.5(3) . . ?
C9 C8 H8 119.8 . . ?
C4 C9 H9 120.0 . . ?
C8 C9 C4 120.1(3) . . ?
C8 C9 H9 120.0 . . ?
C11 C10 P1 122.0(3) . . ?
C15 C10 C11 119.6(3) . . ?
C15 C10 P1 118.5(3) . . ?
C10 C11 H11 120.2 . . ?
C12 C11 C10 119.6(4) . . ?
C12 C11 H11 120.2 . . ?
C11 C12 H12 119.9 . . ?
C13 C12 C11 120.2(4) . . ?
C13 C12 H12 119.9 . . ?
C12 C13 H13 119.8 . . ?
C12 C13 C14 120.4(4) . . ?
C14 C13 H13 119.8 . . ?
C13 C14 H14 120.0 . . ?
C13 C14 C15 119.9(4) . . ?
C15 C14 H14 120.0 . . ?
C10 C15 H15 119.9 . . ?
C14 C15 C10 120.3(4) . . ?
C14 C15 H15 119.9 . . ?
H16A C16 H16B 107.8 . . ?
C17 C16 H16A 109.1 . . ?
C17 C16 H16B 109.1 . . ?
C17 C16 P1 112.6(2) . . ?
P1 C16 H16A 109.1 . . ?
P1 C16 H16B 109.1 . . ?
C18 C17 C16 131.2(3) . . ?
C18 C17 N2 107.2(3) . . ?
N2 C17 C16 121.3(3) . . ?
C17 C18 H18 126.1 . . ?
C17 C18 C19 107.8(3) . . ?
C19 C18 H18 126.1 . . ?
C18 C19 H19 125.8 . . ?
C20 C19 C18 108.4(3) . . ?
C20 C19 H19 125.8 . . ?
C19 C20 C21 129.1(3) . . ?
C19 C20 N2 106.8(3) . . ?
N2 C20 C21 123.8(3) . . ?
C20 C21 H21A 109.2 . . ?
C20 C21 H21B 109.2 . . ?
C20 C21 P2 111.9(2) . . ?
H21A C21 H21B 107.9 . . ?
P2 C21 H21A 109.2 . . ?
P2 C21 H21B 109.2 . . ?
C23 C22 P2 122.9(3) . . ?
C27 C22 C23 118.9(3) . . ?
C27 C22 P2 118.0(3) . . ?
C22 C23 H23 120.2 . . ?
C24 C23 C22 119.6(4) . . ?
C24 C23 H23 120.2 . . ?
C23 C24 H24 119.6 . . ?
C25 C24 C23 120.8(4) . . ?
C25 C24 H24 119.6 . . ?
C24 C25 H25 119.6 . . ?
C24 C25 C26 120.9(4) . . ?
C26 C25 H25 119.6 . . ?
C25 C26 H26 120.6 . . ?
C25 C26 C27 118.7(4) . . ?
C27 C26 H26 120.6 . . ?
C22 C27 H27 119.5 . . ?
C26 C27 C22 121.1(4) . . ?
C26 C27 H27 119.5 . . ?
C29 C28 P2 120.9(3) . . ?
C33 C28 C29 118.6(3) . . ?
C33 C28 P2 120.4(3) . . ?
C28 C29 H29 119.8 . . ?
C30 C29 C28 120.5(4) . . ?
C30 C29 H29 119.8 . . ?
C29 C30 H30 119.9 . . ?
C29 C30 C31 120.3(4) . . ?
C31 C30 H30 119.9 . . ?
C30 C31 H31 119.9 . . ?
C32 C31 C30 120.2(4) . . ?
C32 C31 H31 119.9 . . ?
C31 C32 H32 120.2 . . ?
C31 C32 C33 119.6(4) . . ?
C33 C32 H32 120.2 . . ?
C28 C33 H33 119.6 . . ?
C32 C33 C28 120.9(3) . . ?
C32 C33 H33 119.6 . . ?
H34A C34 H34B 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
Si2 C34 H34A 109.5 . . ?
Si2 C34 H34B 109.5 . . ?
Si2 C34 H34C 109.5 . . ?
H35A C35 H35B 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
Si2 C35 H35A 109.5 . . ?
Si2 C35 H35B 109.5 . . ?
Si2 C35 H35C 109.5 . . ?
H36A C36 H36B 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
Si2 C36 H36A 109.5 . . ?
Si2 C36 H36B 109.5 . . ?
Si2 C36 H36C 109.5 . . ?
H37A C37 H37B 108.4 . . ?
C38 C37 H37A 110.0 . . ?
C38 C37 H37B 110.0 . . ?
O1 C37 H37A 110.0 . . ?
O1 C37 H37B 110.0 . . ?
O1 C37 C38 108.3(3) . . ?
C37 C38 H38A 111.2 . . ?
C37 C38 H38B 111.2 . . ?
H38A C38 H38B 109.1 . . ?
C39 C38 C37 102.8(4) . . ?
C39 C38 H38A 111.2 . . ?
C39 C38 H38B 111.2 . . ?
C38 C39 H39A 111.2 . . ?
C38 C39 H39B 111.2 . . ?
H39A C39 H39B 109.1 . . ?
C40 C39 C38 102.8(4) . . ?
C40 C39 H39A 111.2 . . ?
C40 C39 H39B 111.2 . . ?
C39 C40 H40A 110.4 . . ?
C39 C40 H40B 110.4 . . ?
H40A C40 H40B 108.6 . . ?
O1 C40 C39 106.4(4) . . ?
O1 C40 H40A 110.4 . . ?
O1 C40 H40B 110.4 . . ?
Si1 N1 Ag1 109.52(14) . . ?
P1 N1 Si1 132.27(19) . . ?
P1 N1 Ag1 118.21(16) . . ?
C17 N2 H2 123(3) . . ?
C20 N2 C17 109.8(3) . . ?
C20 N2 H2 128(3) . . ?
Si2 N3 Ag1 114.05(14) . . ?
P2 N3 Si2 130.01(18) . . ?
P2 N3 Ag1 111.24(14) . . ?
C37 O1 C40 108.4(3) . . ?
C1 Si1 C2 110.05(18) . . ?
C1 Si1 C3 109.59(19) . . ?
C2 Si1 C3 106.81(18) . . ?
N1 Si1 C1 110.15(16) . . ?
N1 Si1 C2 106.97(16) . . ?
N1 Si1 C3 113.16(16) . . ?
C34 Si2 C36 109.73(19) . . ?
C35 Si2 C34 107.5(2) . . ?
C35 Si2 C36 108.06(19) . . ?
N3 Si2 C34 111.00(17) . . ?
N3 Si2 C35 113.30(16) . . ?
N3 Si2 C36 107.16(16) . . ?
C4 P1 C10 107.78(16) . . ?
C4 P1 C16 104.84(16) . . ?
C10 P1 C16 105.61(16) . . ?
N1 P1 C4 112.57(16) . . ?
N1 P1 C10 111.45(16) . . ?
N1 P1 C16 114.06(15) . . ?
C22 P2 C21 106.11(16) . . ?
C28 P2 C21 106.73(16) . . ?
C28 P2 C22 105.84(16) . . ?
N3 P2 C21 114.75(16) . . ?
N3 P2 C22 112.50(15) . . ?
N3 P2 C28 110.36(15) . . ?
N1 Ag1 N3 172.78(10) . . ?
F1 B1 F2 109.8(4) . . ?
F3 B1 F1 109.7(4) . . ?
F3 B1 F2 108.6(3) . . ?
F4 B1 F1 109.3(3) . . ?
F4 B1 F2 108.7(4) . . ?
F4 B1 F3 110.7(4) . . ?
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
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C1 Si1 1.866(4) . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C2 Si1 1.873(4) . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C3 Si1 1.873(4) . ?
C4 C5 1.399(5) . ?
C4 C9 1.403(5) . ?
C4 P1 1.797(4) . ?
C5 H5 0.9500 . ?
C5 C6 1.377(5) . ?
C6 H6 0.9500 . ?
C6 C7 1.385(5) . ?
C7 H7 0.9500 . ?
C7 C8 1.374(5) . ?
C8 H8 0.9500 . ?
C8 C9 1.384(5) . ?
C9 H9 0.9500 . ?
C10 C11 1.399(5) . ?
C10 C15 1.381(5) . ?
C10 P1 1.814(4) . ?
C11 H11 0.9500 . ?
C11 C12 1.383(5) . ?
C12 H12 0.9500 . ?
C12 C13 1.374(6) . ?
C13 H13 0.9500 . ?
C13 C14 1.378(6) . ?
C14 H14 0.9500 . ?
C14 C15 1.381(5) . ?
C15 H15 0.9500 . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C16 C17 1.495(5) . ?
C16 P1 1.820(3) . ?
C17 C18 1.363(5) . ?
C17 N2 1.382(4) . ?
C18 H18 0.9500 . ?
C18 C19 1.408(5) . ?
C19 H19 0.9500 . ?
C19 C20 1.367(5) . ?
C20 C21 1.495(5) . ?
C20 N2 1.375(4) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C21 P2 1.819(3) . ?
C22 C23 1.399(5) . ?
C22 C27 1.396(5) . ?
C22 P2 1.801(4) . ?
C23 H23 0.9500 . ?
C23 C24 1.387(5) . ?
C24 H24 0.9500 . ?
C24 C25 1.370(5) . ?
C25 H25 0.9500 . ?
C25 C26 1.386(5) . ?
C26 H26 0.9500 . ?
C26 C27 1.393(5) . ?
C27 H27 0.9500 . ?
C28 C29 1.395(5) . ?
C28 C33 1.389(5) . ?
C28 P2 1.796(3) . ?
C29 H29 0.9500 . ?
C29 C30 1.378(5) . ?
C30 H30 0.9500 . ?
C30 C31 1.381(6) . ?
C31 H31 0.9500 . ?
C31 C32 1.380(5) . ?
C32 H32 0.9500 . ?
C32 C33 1.387(5) . ?
C33 H33 0.9500 . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C34 Si2 1.859(4) . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C35 Si2 1.858(4) . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C36 Si2 1.860(4) . ?
C37 H37A 0.9900 . ?
C37 H37B 0.9900 . ?
C37 C38 1.513(6) . ?
C37 O1 1.408(5) . ?
C38 H38A 0.9900 . ?
C38 H38B 0.9900 . ?
C38 C39 1.495(6) . ?
C39 H39A 0.9900 . ?
C39 H39B 0.9900 . ?
C39 C40 1.493(6) . ?
C40 H40A 0.9900 . ?
C40 H40B 0.9900 . ?
C40 O1 1.423(5) . ?
N1 Si1 1.731(3) . ?
N1 P1 1.587(3) . ?
N1 Ag1 2.143(3) . ?
N2 H2 0.87(4) . ?
N3 Si2 1.733(3) . ?
N3 P2 1.588(3) . ?
N3 Ag1 2.151(3) . ?
F1 B1 1.383(6) . ?
F2 B1 1.403(5) . ?
F3 B1 1.372(5) . ?
F4 B1 1.371(5) . ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
_geom_hbond_publ_flag
N2 H2 F2 0.87(4) 1.99(4) 2.810(4) 156(4) . yes
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
C4 C5 C6 C7 -0.6(6) . . . . ?
C5 C4 C9 C8 -0.5(5) . . . . ?
C5 C4 P1 C10 -173.5(3) . . . . ?
C5 C4 P1 C16 -61.3(3) . . . . ?
C5 C4 P1 N1 63.2(3) . . . . ?
C5 C6 C7 C8 -0.1(6) . . . . ?
C6 C7 C8 C9 0.5(6) . . . . ?
C7 C8 C9 C4 -0.2(5) . . . . ?
C9 C4 C5 C6 0.9(5) . . . . ?
C9 C4 P1 C10 11.9(3) . . . . ?
C9 C4 P1 C16 124.0(3) . . . . ?
C9 C4 P1 N1 -111.4(3) . . . . ?
C10 C11 C12 C13 0.7(6) . . . . ?
C11 C10 C15 C14 1.0(5) . . . . ?
C11 C10 P1 C4 67.3(3) . . . . ?
C11 C10 P1 C16 -44.4(3) . . . . ?
C11 C10 P1 N1 -168.7(3) . . . . ?
C11 C12 C13 C14 0.3(6) . . . . ?
C12 C13 C14 C15 -0.7(6) . . . . ?
C13 C14 C15 C10 0.0(6) . . . . ?
C15 C10 C11 C12 -1.4(5) . . . . ?
C15 C10 P1 C4 -112.1(3) . . . . ?
C15 C10 P1 C16 136.2(3) . . . . ?
C15 C10 P1 N1 11.9(3) . . . . ?
C16 C17 C18 C19 -174.4(3) . . . . ?
C16 C17 N2 C20 175.4(3) . . . . ?
C17 C16 P1 C4 -179.9(2) . . . . ?
C17 C16 P1 C10 -66.2(3) . . . . ?
C17 C16 P1 N1 56.5(3) . . . . ?
C17 C18 C19 C20 -0.3(4) . . . . ?
C18 C17 N2 C20 0.4(4) . . . . ?
C18 C19 C20 C21 174.2(3) . . . . ?
C18 C19 C20 N2 0.5(4) . . . . ?
C19 C20 C21 P2 -109.4(4) . . . . ?
C19 C20 N2 C17 -0.5(4) . . . . ?
C20 C21 P2 C22 161.1(2) . . . . ?
C20 C21 P2 C28 -86.3(3) . . . . ?
C20 C21 P2 N3 36.3(3) . . . . ?
C21 C20 N2 C17 -174.6(3) . . . . ?
C22 C23 C24 C25 -0.1(5) . . . . ?
C23 C22 C27 C26 -2.2(5) . . . . ?
C23 C22 P2 C21 -26.9(3) . . . . ?
C23 C22 P2 C28 -140.1(3) . . . . ?
C23 C22 P2 N3 99.4(3) . . . . ?
C23 C24 C25 C26 -1.6(6) . . . . ?
C24 C25 C26 C27 1.3(6) . . . . ?
C25 C26 C27 C22 0.7(6) . . . . ?
C27 C22 C23 C24 1.9(5) . . . . ?
C27 C22 P2 C21 158.6(3) . . . . ?
C27 C22 P2 C28 45.4(3) . . . . ?
C27 C22 P2 N3 -75.2(3) . . . . ?
C28 C29 C30 C31 -0.1(6) . . . . ?
C29 C28 C33 C32 0.6(5) . . . . ?
C29 C28 P2 C21 -37.6(3) . . . . ?
C29 C28 P2 C22 75.1(3) . . . . ?
C29 C28 P2 N3 -162.9(3) . . . . ?
C29 C30 C31 C32 0.8(6) . . . . ?
C30 C31 C32 C33 -0.8(6) . . . . ?
C31 C32 C33 C28 0.1(5) . . . . ?
C33 C28 C29 C30 -0.6(5) . . . . ?
C33 C28 P2 C21 145.6(3) . . . . ?
C33 C28 P2 C22 -101.6(3) . . . . ?
C33 C28 P2 N3 20.3(3) . . . . ?
C37 C38 C39 C40 -31.0(5) . . . . ?
C38 C37 O1 C40 1.4(5) . . . . ?
C38 C39 C40 O1 33.3(5) . . . . ?
C39 C40 O1 C37 -21.8(5) . . . . ?
N2 C17 C18 C19 -0.1(4) . . . . ?
N2 C20 C21 P2 63.3(4) . . . . ?
O1 C37 C38 C39 19.2(5) . . . . ?
Si1 N1 P1 C4 12.2(3) . . . . ?
Si1 N1 P1 C10 -109.0(2) . . . . ?
Si1 N1 P1 C16 131.5(2) . . . . ?
Si2 N3 P2 C21 85.2(3) . . . . ?
Si2 N3 P2 C22 -36.2(3) . . . . ?
Si2 N3 P2 C28 -154.2(2) . . . . ?
P1 C4 C5 C6 -173.9(3) . . . . ?
P1 C4 C9 C8 174.1(3) . . . . ?
P1 C10 C11 C12 179.3(3) . . . . ?
P1 C10 C15 C14 -179.6(3) . . . . ?
P1 C16 C17 C18 78.8(4) . . . . ?
P1 C16 C17 N2 -94.9(3) . . . . ?
P1 N1 Si1 C1 -92.5(3) . . . . ?
P1 N1 Si1 C2 147.9(2) . . . . ?
P1 N1 Si1 C3 30.6(3) . . . . ?
P2 C22 C23 C24 -172.6(3) . . . . ?
P2 C22 C27 C26 172.5(3) . . . . ?
P2 C28 C29 C30 -177.4(3) . . . . ?
P2 C28 C33 C32 177.5(3) . . . . ?
P2 N3 Si2 C34 -68.4(3) . . . . ?
P2 N3 Si2 C35 52.7(3) . . . . ?
P2 N3 Si2 C36 171.8(2) . . . . ?
Ag1 N1 Si1 C1 86.86(18) . . . . ?
Ag1 N1 Si1 C2 -32.73(19) . . . . ?
Ag1 N1 Si1 C3 -150.08(17) . . . . ?
Ag1 N1 P1 C4 -167.08(15) . . . . ?
Ag1 N1 P1 C10 71.7(2) . . . . ?
Ag1 N1 P1 C16 -47.8(2) . . . . ?
Ag1 N3 Si2 C34 84.8(2) . . . . ?
Ag1 N3 Si2 C35 -154.06(17) . . . . ?
Ag1 N3 Si2 C36 -35.0(2) . . . . ?
Ag1 N3 P2 C21 -68.60(19) . . . . ?
Ag1 N3 P2 C22 169.96(15) . . . . ?
Ag1 N3 P2 C28 52.00(19) . . . . ?
