# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2021

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_Ligand
_database_code_depnum_ccdc_archive 'CCDC 2074436'
loop_
_audit_author_name
_audit_author_address
'Ganesan Mani'
;Indian Institute of Technology, Kharagpur
India
;
_audit_update_record             
;
2021-03-31 deposited with the CCDC.	2021-04-29 downloaded from the CCDC.
;
_audit_creation_date             2021-03-17
_audit_creation_method           
;
Olex2 1.3-alpha
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C36 H45 N3 P2 Si2'
_chemical_formula_sum            'C36 H45 N3 P2 Si2'
_chemical_formula_weight         637.87
_chemical_absolute_configuration ?
_chemical_melting_point          ?
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'
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'

_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.
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           20
_space_group_name_H-M_alt        'C 2 2 21'
_space_group_name_Hall           'C 2c 2'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z+1/2'
'x, -y, -z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, -y+1/2, z+1/2'
'x+1/2, -y+1/2, -z'
'-x+1/2, y+1/2, -z+1/2'

_cell_length_a                   14.056(2)
_cell_length_b                   16.625(3)
_cell_length_c                   15.563(2)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     3636.8(10)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    21114
_cell_measurement_temperature    293
_cell_measurement_theta_max      24.93
_cell_measurement_theta_min      1.897
_shelx_estimated_absorpt_T_max   0.981
_shelx_estimated_absorpt_T_min   0.975
_exptl_absorpt_coefficient_mu    0.213
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.89
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_lustre     .
_exptl_crystal_colour_modifier   .
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.165
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1360
_exptl_crystal_preparation       ?
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.09
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0302
_diffrn_reflns_av_unetI/netI     0.0203
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            21114
_diffrn_reflns_point_group_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_theta_full        24.930
_diffrn_reflns_theta_max         24.930
_diffrn_reflns_theta_min         1.897
_diffrn_ambient_temperature      293
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker-APEX II'
_diffrn_measurement_method       ?
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           30.0
_diffrn_source_power             1.5
_diffrn_source_voltage           50.0
_reflns_Friedel_coverage         0.782
_reflns_Friedel_fraction_full    0.989
_reflns_Friedel_fraction_max     0.989
_reflns_number_gt                2997
_reflns_number_total             3161
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_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)'
_refine_diff_density_max         0.236
_refine_diff_density_min         -0.124
_refine_diff_density_rms         0.032
_refine_ls_abs_structure_details 
;
 Flack x determined using 1268 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.05(3)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.081
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     197
_refine_ls_number_reflns         3161
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0310
_refine_ls_R_factor_gt           0.0281
_refine_ls_restrained_S_all      1.081
_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)+(0.0455P)²+0.5587P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0717
_refine_ls_wR_factor_ref         0.0739
_refine_special_details          ?
_olex2_refinement_description    
;
1.a Secondary CH2 refined with riding coordinates:
 C16(H16A,H16B)
1.b Me refined with riding coordinates:
 C1(H1A,H1B,H1C), C2(H2A,H2B,H2C), C3(H3A,H3B,H3C)
1.c Aromatic/amide H refined with riding coordinates:
 C5(H5), C11(H11), C14(H14), C15(H15), C9(H9), C18(H18), C13(H13), C8(H8),
 C12(H12), C7(H7), C6(H6)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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
P1 P 0.27888(4) 0.29065(3) 0.77366(4) 0.03673(16) Uani 1 1 d . . . . .
Si1 Si 0.33858(5) 0.41710(4) 0.64437(5) 0.0451(2) Uani 1 1 d . . . . .
N1 N 0.33822(14) 0.35876(12) 0.73266(13) 0.0450(5) Uani 1 1 d . . . . .
N2 N 0.500000 0.2386(2) 0.750000 0.0422(7) Uani 1 2 d S T P . .
C10 C 0.22257(16) 0.22105(13) 0.69941(15) 0.0383(5) Uani 1 1 d . . . . .
C17 C 0.43627(16) 0.19205(15) 0.79340(17) 0.0443(6) Uani 1 1 d . . . . .
C4 C 0.18448(17) 0.32650(15) 0.84393(15) 0.0427(6) Uani 1 1 d . . . . .
C5 C 0.1338(2) 0.27754(18) 0.89916(19) 0.0575(7) Uani 1 1 d . . . . .
H5 H 0.148706 0.223154 0.902935 0.069 Uiso 1 1 calc R U . . .
C11 C 0.2799(2) 0.18053(17) 0.64120(17) 0.0536(6) Uani 1 1 d . . . . .
H11 H 0.345236 0.189143 0.641485 0.064 Uiso 1 1 calc R U . . .
C16 C 0.35494(17) 0.22806(15) 0.84169(17) 0.0461(6) Uani 1 1 d . . . . .
H16A H 0.379606 0.260499 0.888455 0.055 Uiso 1 1 calc R U . . .
H16B H 0.316997 0.185210 0.866500 0.055 Uiso 1 1 calc R U . . .
C14 C 0.0872(2) 0.1547(2) 0.6382(2) 0.0675(8) Uani 1 1 d . . . . .
H14 H 0.021757 0.146781 0.636697 0.081 Uiso 1 1 calc R U . . .
C15 C 0.12572(18) 0.20768(18) 0.69673(19) 0.0530(7) Uani 1 1 d . . . . .
H15 H 0.086011 0.234709 0.734823 0.064 Uiso 1 1 calc R U . . .
C9 C 0.1626(2) 0.40777(17) 0.84228(19) 0.0586(7) Uani 1 1 d . . . . .
H9 H 0.197400 0.442205 0.807237 0.070 Uiso 1 1 calc R U . . .
C18 C 0.45958(19) 0.11406(16) 0.7774(2) 0.0627(8) Uani 1 1 d . . . . .
H18 H 0.428256 0.068911 0.798473 0.075 Uiso 1 1 calc R U . . .
C13 C 0.1443(2) 0.11358(19) 0.5823(2) 0.0664(8) Uani 1 1 d . . . . .
H13 H 0.118162 0.076520 0.544286 0.080 Uiso 1 1 calc R U . . .
C8 C 0.0900(3) 0.4381(2) 0.8917(2) 0.0710(9) Uani 1 1 d . . . . .
H8 H 0.075600 0.492625 0.889283 0.085 Uiso 1 1 calc R U . . .
C12 C 0.2407(2) 0.12756(19) 0.58288(19) 0.0636(8) Uani 1 1 d . . . . .
H12 H 0.279732 0.101152 0.543720 0.076 Uiso 1 1 calc R U . . .
C7 C 0.0390(2) 0.3887(2) 0.9445(2) 0.0673(9) Uani 1 1 d . . . . .
H7 H -0.010611 0.409319 0.977412 0.081 Uiso 1 1 calc R U . . .
C6 C 0.0611(2) 0.3087(2) 0.9488(2) 0.0688(9) Uani 1 1 d . . . . .
H6 H 0.027056 0.275051 0.985341 0.083 Uiso 1 1 calc R U . . .
C1 C 0.3318(3) 0.52527(18) 0.6739(3) 0.0905(12) Uani 1 1 d . . . . .
H1A H 0.332103 0.557438 0.622692 0.136 Uiso 1 1 calc R U . . .
H1B H 0.274226 0.535047 0.705408 0.136 Uiso 1 1 calc R U . . .
H1C H 0.385580 0.539197 0.708913 0.136 Uiso 1 1 calc R U . . .
C2 C 0.2377(3) 0.3943(3) 0.5697(2) 0.1007(14) Uani 1 1 d . . . . .
H2A H 0.241262 0.429115 0.520558 0.151 Uiso 1 1 calc R U . . .
H2B H 0.241817 0.339300 0.551234 0.151 Uiso 1 1 calc R U . . .
H2C H 0.178445 0.402785 0.598894 0.151 Uiso 1 1 calc R U . . .
C3 C 0.4521(3) 0.4024(3) 0.5857(3) 0.0951(14) Uani 1 1 d . . . . .
H3A H 0.452563 0.435650 0.535227 0.143 Uiso 1 1 calc R U . . .
H3B H 0.504337 0.417050 0.622205 0.143 Uiso 1 1 calc R U . . .
H3C H 0.458099 0.347016 0.569238 0.143 Uiso 1 1 calc R U . . .
H2 H 0.500000 0.281(2) 0.750000 0.038(11) Uiso 1 2 d S . P . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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
P1 N1 1.544(2) . ?
P1 C10 1.817(2) . ?
P1 C4 1.820(2) . ?
P1 C16 1.829(2) . ?
Si1 N1 1.682(2) . ?
Si1 C1 1.859(3) . ?
Si1 C2 1.872(4) . ?
Si1 C3 1.854(3) . ?
N2 C17 1.363(3) . ?
N2 C17 1.362(3) 4_656 ?
N2 H2 0.71(4) . ?
C10 C11 1.387(3) . ?
C10 C15 1.380(3) . ?
C17 C16 1.493(4) . ?
C17 C18 1.360(4) . ?
C4 C5 1.382(4) . ?
C4 C9 1.386(4) . ?
C5 H5 0.9300 . ?
C5 C6 1.382(4) . ?
C11 H11 0.9300 . ?
C11 C12 1.379(4) . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C14 H14 0.9300 . ?
C14 C15 1.378(4) . ?
C14 C13 1.366(5) . ?
C15 H15 0.9300 . ?
C9 H9 0.9300 . ?
C9 C8 1.373(4) . ?
C18 C18 1.420(6) 4_656 ?
C18 H18 0.9300 . ?
C13 H13 0.9300 . ?
C13 C12 1.375(5) . ?
C8 H8 0.9300 . ?
C8 C7 1.366(5) . ?
C12 H12 0.9300 . ?
C7 H7 0.9300 . ?
C7 C6 1.367(5) . ?
C6 H6 0.9300 . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C2 H2A 0.9600 . ?
C2 H2B 0.9600 . ?
C2 H2C 0.9600 . ?
C3 H3A 0.9600 . ?
C3 H3B 0.9600 . ?
C3 H3C 0.9600 . ?

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 P1 C10 116.07(11) . . ?
N1 P1 C4 113.70(11) . . ?
N1 P1 C16 109.92(11) . . ?
C10 P1 C4 105.85(11) . . ?
C10 P1 C16 105.09(12) . . ?
C4 P1 C16 105.34(11) . . ?
N1 Si1 C1 110.84(15) . . ?
N1 Si1 C2 112.85(14) . . ?
N1 Si1 C3 109.22(15) . . ?
C1 Si1 C2 108.1(2) . . ?
C3 Si1 C1 107.0(2) . . ?
C3 Si1 C2 108.6(2) . . ?
P1 N1 Si1 139.65(14) . . ?
C17 N2 C17 110.9(3) 4_656 . ?
C17 N2 H2 124.58(15) 4_656 . ?
C17 N2 H2 124.57(16) . . ?
C11 C10 P1 118.16(18) . . ?
C15 C10 P1 123.5(2) . . ?
C15 C10 C11 118.4(2) . . ?
N2 C17 C16 121.7(2) . . ?
C18 C17 N2 107.0(2) . . ?
C18 C17 C16 131.2(2) . . ?
C5 C4 P1 123.8(2) . . ?
C5 C4 C9 118.1(2) . . ?
C9 C4 P1 118.0(2) . . ?
C4 C5 H5 119.7 . . ?
C6 C5 C4 120.6(3) . . ?
C6 C5 H5 119.7 . . ?
C10 C11 H11 119.7 . . ?
C12 C11 C10 120.6(3) . . ?
C12 C11 H11 119.7 . . ?
P1 C16 H16A 109.1 . . ?
P1 C16 H16B 109.1 . . ?
C17 C16 P1 112.59(17) . . ?
C17 C16 H16A 109.1 . . ?
C17 C16 H16B 109.1 . . ?
H16A C16 H16B 107.8 . . ?
C15 C14 H14 119.7 . . ?
C13 C14 H14 119.7 . . ?
C13 C14 C15 120.7(3) . . ?
C10 C15 H15 119.7 . . ?
C14 C15 C10 120.7(3) . . ?
C14 C15 H15 119.7 . . ?
C4 C9 H9 119.6 . . ?
C8 C9 C4 120.8(3) . . ?
C8 C9 H9 119.6 . . ?
C17 C18 C18 107.62(17) . 4_656 ?
C17 C18 H18 126.2 . . ?
C18 C18 H18 126.2 4_656 . ?
C14 C13 H13 120.3 . . ?
C14 C13 C12 119.4(3) . . ?
C12 C13 H13 120.3 . . ?
C9 C8 H8 119.8 . . ?
C7 C8 C9 120.5(3) . . ?
C7 C8 H8 119.8 . . ?
C11 C12 H12 119.8 . . ?
C13 C12 C11 120.3(3) . . ?
C13 C12 H12 119.8 . . ?
C8 C7 H7 120.2 . . ?
C8 C7 C6 119.6(3) . . ?
C6 C7 H7 120.2 . . ?
C5 C6 H6 119.8 . . ?
C7 C6 C5 120.4(3) . . ?
C7 C6 H6 119.8 . . ?
Si1 C1 H1A 109.5 . . ?
Si1 C1 H1B 109.5 . . ?
Si1 C1 H1C 109.5 . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
Si1 C2 H2A 109.5 . . ?
Si1 C2 H2B 109.5 . . ?
Si1 C2 H2C 109.5 . . ?
H2A C2 H2B 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
Si1 C3 H3A 109.5 . . ?
Si1 C3 H3B 109.5 . . ?
Si1 C3 H3C 109.5 . . ?
H3A C3 H3B 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?

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 N1 0.71(4) 2.626(19) 3.039(3) 119.3(8) . yes
N2 H2 N1 0.71(4) 2.626(19) 3.039(3) 119.3(8) 4_656 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
P1 C10 C11 C12 -179.4(2) . . . . ?
P1 C10 C15 C14 179.3(2) . . . . ?
P1 C4 C5 C6 -178.1(2) . . . . ?
P1 C4 C9 C8 177.9(2) . . . . ?
N1 P1 C10 C11 56.7(2) . . . . ?
N1 P1 C10 C15 -121.9(2) . . . . ?
N1 P1 C4 C5 -167.9(2) . . . . ?
N1 P1 C4 C9 11.7(3) . . . . ?
N1 P1 C16 C17 -58.1(2) . . . . ?
N2 C17 C16 P1 57.1(3) . . . . ?
N2 C17 C18 C18 0.2(4) . . . 4_656 ?
C10 P1 N1 Si1 33.3(2) . . . . ?
C10 P1 C4 C5 63.5(2) . . . . ?
C10 P1 C4 C9 -116.9(2) . . . . ?
C10 P1 C16 C17 67.4(2) . . . . ?
C10 C11 C12 C13 -0.7(5) . . . . ?
C17 N2 C17 C16 -176.0(3) 4_656 . . . ?
C17 N2 C17 C18 -0.08(16) 4_656 . . . ?
C4 P1 N1 Si1 -89.8(2) . . . . ?
C4 P1 C10 C11 -176.13(19) . . . . ?
C4 P1 C10 C15 5.3(2) . . . . ?
C4 P1 C16 C17 179.00(18) . . . . ?
C4 C5 C6 C7 -0.6(5) . . . . ?
C4 C9 C8 C7 0.9(5) . . . . ?
C5 C4 C9 C8 -2.5(4) . . . . ?
C11 C10 C15 C14 0.7(4) . . . . ?
C16 P1 N1 Si1 152.4(2) . . . . ?
C16 P1 C10 C11 -64.9(2) . . . . ?
C16 P1 C10 C15 116.4(2) . . . . ?
C16 P1 C4 C5 -47.5(3) . . . . ?
C16 P1 C4 C9 132.1(2) . . . . ?
C16 C17 C18 C18 175.6(3) . . . 4_656 ?
C14 C13 C12 C11 2.2(5) . . . . ?
C15 C10 C11 C12 -0.7(4) . . . . ?
C15 C14 C13 C12 -2.2(5) . . . . ?
C9 C4 C5 C6 2.3(4) . . . . ?
C9 C8 C7 C6 0.8(5) . . . . ?
C18 C17 C16 P1 -117.8(3) . . . . ?
C13 C14 C15 C10 0.8(5) . . . . ?
C8 C7 C6 C5 -0.9(5) . . . . ?
C1 Si1 N1 P1 120.6(2) . . . . ?
C2 Si1 N1 P1 -0.8(3) . . . . ?
C3 Si1 N1 P1 -121.7(3) . . . . ?

################################################################################################################################
_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_Cu_CuCl2
_database_code_depnum_ccdc_archive 'CCDC 2074437'
loop_
_audit_author_name
_audit_author_address
'Ganesan Mani'
;Indian Institute of Technology, Kharagpur
India
;
_audit_update_record             
;
2021-03-31 deposited with the CCDC.	2021-04-29 downloaded from the CCDC.
;
_audit_creation_date             2021-03-17
_audit_creation_method           
;
Olex2 1.3-alpha
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C36 H45 Cu N3 P2 Si2, Cl2 Cu'
_chemical_formula_sum            'C36 H45 Cl2 Cu2 N3 P2 Si2'
_chemical_formula_weight         835.85
_chemical_melting_point          ?
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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 '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'
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'

_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.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   12.3861(10)
_cell_length_b                   12.8347(11)
_cell_length_c                   13.8430(12)
_cell_angle_alpha                63.551(2)
_cell_angle_beta                 76.619(2)
_cell_angle_gamma                83.611(2)
_cell_volume                     1916.7(3)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    22589
_cell_measurement_temperature    100.15
_cell_measurement_theta_max      25
_cell_measurement_theta_min      1.5
_shelx_estimated_absorpt_T_max   0.854
_shelx_estimated_absorpt_T_min   0.674
_exptl_absorpt_coefficient_mu    1.425
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.902
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_lustre     .
_exptl_crystal_colour_modifier   .
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.448
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             864
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.176
_exptl_crystal_size_min          0.114
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0350
_diffrn_reflns_av_unetI/netI     0.0361
_diffrn_reflns_Laue_measured_fraction_full 0.988
_diffrn_reflns_Laue_measured_fraction_max 0.988
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            22589
_diffrn_reflns_point_group_measured_fraction_full 0.988
_diffrn_reflns_point_group_measured_fraction_max 0.988
_diffrn_reflns_theta_full        24.945
_diffrn_reflns_theta_max         24.945
_diffrn_reflns_theta_min         1.678
_diffrn_ambient_temperature      100.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Bruker-APEX II'
_diffrn_measurement_method       ?
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5586
_reflns_number_total             6647
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_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)'
_refine_diff_density_max         1.580
_refine_diff_density_min         -0.815
_refine_diff_density_rms         0.087
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     432
_refine_ls_number_reflns         6647
_refine_ls_number_restraints     64
_refine_ls_R_factor_all          0.0516
_refine_ls_R_factor_gt           0.0423
_refine_ls_restrained_S_all      1.036
_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)+(0.0617P)²+2.9746P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1114
_refine_ls_wR_factor_ref         0.1175
_refine_special_details          ?
_olex2_refinement_description    
;
1. Restrained distances
 N3-Si2A \\sim N3-Si2B
 with sigma of 0.02
 C35A-Si2A \\sim C35B-Si2B
 with sigma of 0.02
 Si2A-C34A \\sim Si2B-C34B
 with sigma of 0.02
 Si2A-C36A \\sim Si2B-C36B
 with sigma of 0.02
 C34A-C36A \\sim C34B-C36B
 with sigma of 0.04
 N3-C35A \\sim N3-C35B
 with sigma of 0.04
 N3-C34A \\sim N3-C34B
 with sigma of 0.04
 N3-C36A \\sim N3-C36B
 with sigma of 0.04
 C35A-C34A \\sim C35B-C34B
 with sigma of 0.04
 C35A-C36A \\sim C35B-C36B
 with sigma of 0.04
2. Uiso/Uaniso restraints and constraints
Uanis(C35A) = Uanis(C35B) = Uanis(Si2A) = Uanis(Si2B) = Uanis(C36B) =
Uanis(C36A) = Uanis(C34B) = Uanis(C34A)
3. Rigid body (RIGU) restrains
 Si2B, Si2A, C35A, C35B, C34A, C34B, C36A, C36B, N3
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
4. Others
 Sof(C35B)=Sof(H35D)=Sof(H35E)=Sof(H35F)=Sof(Si2B)=Sof(C34B)=Sof(H34D)=
 Sof(H34E)=Sof(H34F)=Sof(C36B)=Sof(H36D)=Sof(H36E)=Sof(H36F)=1-FVAR(1)
 Sof(C35A)=Sof(H35A)=Sof(H35B)=Sof(H35C)=Sof(Si2A)=Sof(C34A)=Sof(H34A)=
 Sof(H34B)=Sof(H34C)=Sof(C36A)=Sof(H36A)=Sof(H36B)=Sof(H36C)=FVAR(1)
5.a Secondary CH2 refined with riding coordinates:
 C16(H16A,H16B), C21(H21A,H21B)
5.b 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)
5.c Idealised Me refined as rotating group:
 C1(H1A,H1B,H1C), C2(H2A,H2B,H2C), C3(H3A,H3B,H3C), C35A(H35A,H35B,H35C),
 C34A(H34A,H34B,H34C), C36A(H36A,H36B,H36C), C35B(H35D,H35E,H35F), C34B(H34D,
 H34E,H34F), C36B(H36D,H36E,H36F)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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 0.4942(4) 0.4473(4) 0.3225(4) 0.0450(11) Uani 1 1 d . . . . .
H1A H 0.526286 0.409360 0.388541 0.067 Uiso 1 1 calc R U . . .
H1B H 0.515386 0.529429 0.283265 0.067 Uiso 1 1 calc R U . . .
H1C H 0.521886 0.408805 0.274140 0.067 Uiso 1 1 calc R U . . .
C2 C 0.2793(5) 0.5277(4) 0.2399(4) 0.0557(14) Uani 1 1 d . . . . .
H2A H 0.311498 0.504170 0.180847 0.084 Uiso 1 1 calc R U . . .
H2B H 0.295637 0.609762 0.214781 0.084 Uiso 1 1 calc R U . . .
H2C H 0.198700 0.517026 0.259144 0.084 Uiso 1 1 calc R U . . .
C3 C 0.2904(4) 0.4994(4) 0.4644(4) 0.0371(10) Uani 1 1 d . . . . .
H3A H 0.212274 0.479621 0.498383 0.056 Uiso 1 1 calc R U . . .
H3B H 0.298160 0.584160 0.426346 0.056 Uiso 1 1 calc R U . . .
H3C H 0.334841 0.467252 0.521668 0.056 Uiso 1 1 calc R U . . .
C4 C 0.2853(3) 0.2727(3) 0.2334(3) 0.0207(7) Uani 1 1 d . . . . .
C5 C 0.3987(3) 0.2827(3) 0.1901(3) 0.0269(8) Uani 1 1 d . . . . .
H5 H 0.449726 0.257098 0.238127 0.032 Uiso 1 1 calc R U . . .
C6 C 0.4375(3) 0.3303(4) 0.0767(3) 0.0334(9) Uani 1 1 d . . . . .
H6 H 0.515087 0.336792 0.047164 0.040 Uiso 1 1 calc R U . . .
C7 C 0.3630(3) 0.3681(3) 0.0068(3) 0.0327(9) Uani 1 1 d . . . . .
H7 H 0.389567 0.403408 -0.070749 0.039 Uiso 1 1 calc R U . . .
C8 C 0.2515(3) 0.3549(3) 0.0488(3) 0.0283(8) Uani 1 1 d . . . . .
H8 H 0.201092 0.378996 0.000335 0.034 Uiso 1 1 calc R U . . .
C9 C 0.2115(3) 0.3065(3) 0.1622(3) 0.0255(8) Uani 1 1 d . . . . .
H9 H 0.133958 0.296438 0.191071 0.031 Uiso 1 1 calc R U . . .
C10 C 0.2584(3) 0.0702(3) 0.4462(3) 0.0203(7) Uani 1 1 d . . . . .
C11 C 0.1979(3) -0.0018(3) 0.4280(3) 0.0261(8) Uani 1 1 d . . . . .
H11 H 0.144346 0.030788 0.382955 0.031 Uiso 1 1 calc R U . . .
C12 C 0.2156(3) -0.1211(3) 0.4755(3) 0.0303(9) Uani 1 1 d . . . . .
H12 H 0.175175 -0.170316 0.462098 0.036 Uiso 1 1 calc R U . . .
C13 C 0.2922(3) -0.1680(3) 0.5426(3) 0.0298(9) Uani 1 1 d . . . . .
H13 H 0.303012 -0.249921 0.576697 0.036 Uiso 1 1 calc R U . . .
C14 C 0.3529(3) -0.0975(3) 0.5605(3) 0.0310(9) Uani 1 1 d . . . . .
H14 H 0.405676 -0.130718 0.606386 0.037 Uiso 1 1 calc R U . . .
C15 C 0.3373(3) 0.0223(3) 0.5116(3) 0.0262(8) Uani 1 1 d . . . . .
H15 H 0.380243 0.071327 0.522735 0.031 Uiso 1 1 calc R U . . .
C16 C 0.0866(3) 0.2494(3) 0.4010(3) 0.0230(8) Uani 1 1 d . . . . .
H16A H 0.068108 0.323086 0.340712 0.028 Uiso 1 1 calc R U . . .
H16B H 0.050305 0.184963 0.400187 0.028 Uiso 1 1 calc R U . . .
C17 C 0.0446(3) 0.2545(3) 0.5091(3) 0.0195(7) Uani 1 1 d . . . . .
C18 C 0.0018(3) 0.3462(3) 0.5307(3) 0.0247(8) Uani 1 1 d . . . . .
H18 H -0.017837 0.420313 0.478611 0.030 Uiso 1 1 calc R U . . .
C19 C -0.0081(3) 0.3107(3) 0.6453(3) 0.0265(8) Uani 1 1 d . . . . .
H19 H -0.035642 0.356792 0.683785 0.032 Uiso 1 1 calc R U . . .
C20 C 0.0292(3) 0.1985(3) 0.6901(3) 0.0205(7) Uani 1 1 d . . . . .
C21 C 0.0495(3) 0.1192(3) 0.8033(3) 0.0228(8) Uani 1 1 d . . . . .
H21A H 0.059624 0.038429 0.811084 0.027 Uiso 1 1 calc R U . . .
H21B H -0.016194 0.121001 0.859119 0.027 Uiso 1 1 calc R U . . .
C22 C 0.1890(3) 0.0503(3) 0.9613(3) 0.0211(7) Uani 1 1 d . . . . .
C23 C 0.2160(3) -0.0606(3) 0.9679(3) 0.0245(8) Uani 1 1 d . . . . .
H23 H 0.217453 -0.075249 0.906109 0.029 Uiso 1 1 calc R U . . .
C24 C 0.2406(3) -0.1493(3) 1.0632(3) 0.0277(8) Uani 1 1 d . . . . .
H24 H 0.259224 -0.224745 1.067092 0.033 Uiso 1 1 calc R U . . .
C25 C 0.2379(3) -0.1274(3) 1.1537(3) 0.0313(9) Uani 1 1 d . . . . .
H25 H 0.255079 -0.188024 1.219552 0.038 Uiso 1 1 calc R U . . .
C26 C 0.2102(3) -0.0176(3) 1.1482(3) 0.0299(9) Uani 1 1 d . . . . .
H26 H 0.208223 -0.003460 1.210332 0.036 Uiso 1 1 calc R U . . .
C27 C 0.1855(3) 0.0717(3) 1.0525(3) 0.0235(8) Uani 1 1 d . . . . .
H27 H 0.166309 0.146919 1.048870 0.028 Uiso 1 1 calc R U . . .
C28 C 0.1301(3) 0.2962(3) 0.8404(3) 0.0206(7) Uani 1 1 d . . . . .
C29 C 0.0290(3) 0.3065(3) 0.9061(3) 0.0267(8) Uani 1 1 d . . . . .
H29 H -0.016624 0.240175 0.950252 0.032 Uiso 1 1 calc R U . . .
C30 C -0.0052(3) 0.4122(3) 0.9074(3) 0.0304(9) Uani 1 1 d . . . . .
H30 H -0.074759 0.419168 0.950893 0.036 Uiso 1 1 calc R U . . .
C31 C 0.0635(3) 0.5086(3) 0.8443(3) 0.0317(9) Uani 1 1 d . . . . .
H31 H 0.040803 0.581442 0.845000 0.038 Uiso 1 1 calc R U . . .
C32 C 0.1639(4) 0.4987(3) 0.7811(3) 0.0304(9) Uani 1 1 d . . . . .
H32 H 0.210614 0.564585 0.739248 0.037 Uiso 1 1 calc R U . . .
C33 C 0.1977(3) 0.3929(3) 0.7779(3) 0.0251(8) Uani 1 1 d . . . . .
H33 H 0.266669 0.386862 0.733213 0.030 Uiso 1 1 calc R U . . .
N1 N 0.2985(2) 0.2907(3) 0.4269(2) 0.0231(6) Uani 1 1 d . . . . .
N2 N 0.0614(2) 0.1643(3) 0.6070(2) 0.0203(6) Uani 1 1 d . . . . .
Si1 Si 0.34006(9) 0.43659(9) 0.36330(8) 0.0285(2) Uani 1 1 d . . . . .
P1 P 0.23742(8) 0.22659(8) 0.37930(7) 0.0204(2) Uani 1 1 d . . . . .
P2 P 0.17126(8) 0.16185(7) 0.82856(7) 0.0205(2) Uani 1 1 d . . . . .
Cl1 Cl 0.29286(9) -0.31120(9) 0.87656(10) 0.0441(3) Uani 1 1 d . . . . .
Cl2 Cl 0.03115(7) -0.11611(7) 0.73258(7) 0.0265(2) Uani 1 1 d . . . . .
Cu1 Cu 0.27707(4) 0.22844(4) 0.58429(3) 0.02259(13) Uani 1 1 d . . . . .
Cu2 Cu 0.16651(4) -0.21077(4) 0.79927(4) 0.02640(14) Uani 1 1 d . . . . .
N3 N 0.2801(3) 0.1730(3) 0.7362(2) 0.0246(7) Uani 1 1 d D . . . .
C35 C 0.5095(6) 0.2536(6) 0.6326(6) 0.0320(3) Uani 0.71(2) 1 d D . P A 1
H35A H 0.505045 0.243808 0.567390 0.048 Uiso 0.71(2) 1 calc R U P A 1
H35B H 0.586555 0.242479 0.642333 0.048 Uiso 0.71(2) 1 calc R U P A 1
H35C H 0.484192 0.332119 0.622909 0.048 Uiso 0.71(2) 1 calc R U P A 1
Si2 Si 0.4202(5) 0.1446(6) 0.7561(6) 0.0320(3) Uani 0.71(2) 1 d D . P A 1
C34 C 0.4381(6) 0.1597(8) 0.8795(5) 0.0320(3) Uani 0.71(2) 1 d D . P A 1
H34A H 0.394548 0.226503 0.883992 0.048 Uiso 0.71(2) 1 calc R U P A 1
H34B H 0.516732 0.171609 0.873136 0.048 Uiso 0.71(2) 1 calc R U P A 1
H34C H 0.412561 0.088773 0.946137 0.048 Uiso 0.71(2) 1 calc R U P A 1
C36 C 0.4683(7) -0.0008(6) 0.7622(6) 0.0320(3) Uani 0.71(2) 1 d D . P A 1
H36A H 0.415695 -0.060375 0.818341 0.048 Uiso 0.71(2) 1 calc R U P A 1
H36B H 0.541749 -0.018431 0.781316 0.048 Uiso 0.71(2) 1 calc R U P A 1
H36C H 0.472764 0.000085 0.690281 0.048 Uiso 0.71(2) 1 calc R U P A 1
C35A C 0.5017(15) 0.2726(14) 0.6421(14) 0.0320(3) Uani 0.29(2) 1 d D . P A 2
H35D H 0.492052 0.281523 0.570504 0.048 Uiso 0.29(2) 1 calc R U P A 2
H35E H 0.580478 0.259879 0.645651 0.048 Uiso 0.29(2) 1 calc R U P A 2
H35F H 0.475366 0.343180 0.651202 0.048 Uiso 0.29(2) 1 calc R U P A 2
Si2A Si 0.4205(11) 0.1455(16) 0.7541(14) 0.0320(3) Uani 0.29(2) 1 d D . P A 2
C34A C 0.4493(14) 0.121(2) 0.8878(12) 0.0320(3) Uani 0.29(2) 1 d D . P A 2
H34D H 0.454991 0.196042 0.888707 0.048 Uiso 0.29(2) 1 calc R U P A 2
H34E H 0.519365 0.077720 0.898144 0.048 Uiso 0.29(2) 1 calc R U P A 2
H34F H 0.388926 0.076001 0.947489 0.048 Uiso 0.29(2) 1 calc R U P A 2
C36A C 0.4940(16) 0.0175(15) 0.7388(16) 0.0320(3) Uani 0.29(2) 1 d D . P A 2
H36D H 0.444845 -0.021829 0.719555 0.048 Uiso 0.29(2) 1 calc R U P A 2
H36E H 0.515252 -0.036580 0.808396 0.048 Uiso 0.29(2) 1 calc R U P A 2
H36F H 0.560742 0.043554 0.680315 0.048 Uiso 0.29(2) 1 calc R U P A 2
H2 H 0.076(3) 0.099(4) 0.614(3) 0.022(10) Uiso 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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 1.863(5) . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C2 Si1 1.864(4) . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C3 Si1 1.866(4) . ?
C4 C5 1.389(5) . ?
C4 C9 1.394(5) . ?
C4 P1 1.800(3) . ?
C5 H5 0.9500 . ?
C5 C6 1.390(5) . ?
C6 H6 0.9500 . ?
C6 C7 1.386(6) . ?
C7 H7 0.9500 . ?
C7 C8 1.366(6) . ?
C8 H8 0.9500 . ?
C8 C9 1.391(5) . ?
C9 H9 0.9500 . ?
C10 C11 1.387(5) . ?
C10 C15 1.389(5) . ?
C10 P1 1.815(3) . ?
C11 H11 0.9500 . ?
C11 C12 1.385(5) . ?
C12 H12 0.9500 . ?
C12 C13 1.381(6) . ?
C13 H13 0.9500 . ?
C13 C14 1.371(6) . ?
C14 H14 0.9500 . ?
C14 C15 1.388(5) . ?
C15 H15 0.9500 . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C16 C17 1.494(5) . ?
C16 P1 1.834(4) . ?
C17 C18 1.363(5) . ?
C17 N2 1.378(4) . ?
C18 H18 0.9500 . ?
C18 C19 1.421(5) . ?
C19 H19 0.9500 . ?
C19 C20 1.364(5) . ?
C20 C21 1.503(5) . ?
C20 N2 1.369(4) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C21 P2 1.815(4) . ?
C22 C23 1.392(5) . ?
C22 C27 1.397(5) . ?
C22 P2 1.802(4) . ?
C23 H23 0.9500 . ?
C23 C24 1.378(5) . ?
C24 H24 0.9500 . ?
C24 C25 1.395(5) . ?
C25 H25 0.9500 . ?
C25 C26 1.384(6) . ?
C26 H26 0.9500 . ?
C26 C27 1.386(5) . ?
C27 H27 0.9500 . ?
C28 C29 1.398(5) . ?
C28 C33 1.389(5) . ?
C28 P2 1.810(3) . ?
C29 H29 0.9500 . ?
C29 C30 1.383(5) . ?
C30 H30 0.9500 . ?
C30 C31 1.394(6) . ?
C31 H31 0.9500 . ?
C31 C32 1.374(6) . ?
C32 H32 0.9500 . ?
C32 C33 1.393(5) . ?
C33 H33 0.9500 . ?
N1 Si1 1.755(3) . ?
N1 P1 1.593(3) . ?
N1 Cu1 1.919(3) . ?
N2 H2 0.81(4) . ?
P2 N3 1.598(3) . ?
Cl1 Cu2 2.0864(11) . ?
Cl2 Cu2 2.0984(10) . ?
Cu1 N3 1.905(3) . ?
N3 Si2 1.792(6) . ?
N3 Si2A 1.787(13) . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C35 Si2 1.856(7) . ?
Si2 C34 1.866(7) . ?
Si2 C36 1.865(7) . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C35A H35D 0.9800 . ?
C35A H35E 0.9800 . ?
C35A H35F 0.9800 . ?
C35A Si2A 1.862(14) . ?
Si2A C34A 1.847(14) . ?
Si2A C36A 1.861(14) . ?
C34A H34D 0.9800 . ?
C34A H34E 0.9800 . ?
C34A H34F 0.9800 . ?
C36A H36D 0.9800 . ?
C36A H36E 0.9800 . ?
C36A H36F 0.9800 . ?

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 119.3(3) . . ?
C5 C4 P1 118.9(3) . . ?
C9 C4 P1 121.6(3) . . ?
C4 C5 H5 120.0 . . ?
C4 C5 C6 120.1(3) . . ?
C6 C5 H5 120.0 . . ?
C5 C6 H6 120.0 . . ?
C7 C6 C5 119.9(4) . . ?
C7 C6 H6 120.0 . . ?
C6 C7 H7 119.8 . . ?
C8 C7 C6 120.3(4) . . ?
C8 C7 H7 119.8 . . ?
C7 C8 H8 119.8 . . ?
C7 C8 C9 120.3(3) . . ?
C9 C8 H8 119.8 . . ?
C4 C9 H9 120.1 . . ?
C8 C9 C4 119.9(3) . . ?
C8 C9 H9 120.1 . . ?
C11 C10 C15 119.8(3) . . ?
C11 C10 P1 119.4(3) . . ?
C15 C10 P1 120.8(3) . . ?
C10 C11 H11 119.9 . . ?
C12 C11 C10 120.1(3) . . ?
C12 C11 H11 119.9 . . ?
C11 C12 H12 120.2 . . ?
C13 C12 C11 119.6(4) . . ?
C13 C12 H12 120.2 . . ?
C12 C13 H13 119.7 . . ?
C14 C13 C12 120.7(3) . . ?
C14 C13 H13 119.7 . . ?
C13 C14 H14 119.9 . . ?
C13 C14 C15 120.1(4) . . ?
C15 C14 H14 119.9 . . ?
C10 C15 H15 120.2 . . ?
C14 C15 C10 119.6(4) . . ?
C14 C15 H15 120.2 . . ?
H16A C16 H16B 108.2 . . ?
C17 C16 H16A 109.7 . . ?
C17 C16 H16B 109.7 . . ?
C17 C16 P1 109.8(2) . . ?
P1 C16 H16A 109.7 . . ?
P1 C16 H16B 109.7 . . ?
C18 C17 C16 129.7(3) . . ?
C18 C17 N2 107.6(3) . . ?
N2 C17 C16 122.0(3) . . ?
C17 C18 H18 126.3 . . ?
C17 C18 C19 107.5(3) . . ?
C19 C18 H18 126.3 . . ?
C18 C19 H19 126.2 . . ?
C20 C19 C18 107.7(3) . . ?
C20 C19 H19 126.2 . . ?
C19 C20 C21 132.2(3) . . ?
C19 C20 N2 107.7(3) . . ?
N2 C20 C21 119.7(3) . . ?
C20 C21 H21A 109.3 . . ?
C20 C21 H21B 109.3 . . ?
C20 C21 P2 111.6(2) . . ?
H21A C21 H21B 108.0 . . ?
P2 C21 H21A 109.3 . . ?
P2 C21 H21B 109.3 . . ?
C23 C22 C27 119.8(3) . . ?
C23 C22 P2 116.4(3) . . ?
C27 C22 P2 123.7(3) . . ?
C22 C23 H23 119.7 . . ?
C24 C23 C22 120.7(3) . . ?
C24 C23 H23 119.7 . . ?
C23 C24 H24 120.3 . . ?
C23 C24 C25 119.4(3) . . ?
C25 C24 H24 120.3 . . ?
C24 C25 H25 119.9 . . ?
C26 C25 C24 120.3(3) . . ?
C26 C25 H25 119.9 . . ?
C25 C26 H26 119.8 . . ?
C25 C26 C27 120.4(3) . . ?
C27 C26 H26 119.8 . . ?
C22 C27 H27 120.3 . . ?
C26 C27 C22 119.5(3) . . ?
C26 C27 H27 120.3 . . ?
C29 C28 P2 121.5(3) . . ?
C33 C28 C29 119.4(3) . . ?
C33 C28 P2 119.1(3) . . ?
C28 C29 H29 119.6 . . ?
C30 C29 C28 120.8(3) . . ?
C30 C29 H29 119.6 . . ?
C29 C30 H30 120.4 . . ?
C29 C30 C31 119.2(4) . . ?
C31 C30 H30 120.4 . . ?
C30 C31 H31 119.8 . . ?
C32 C31 C30 120.4(3) . . ?
C32 C31 H31 119.8 . . ?
C31 C32 H32 119.8 . . ?
C31 C32 C33 120.5(3) . . ?
C33 C32 H32 119.8 . . ?
C28 C33 C32 119.7(4) . . ?
C28 C33 H33 120.1 . . ?
C32 C33 H33 120.1 . . ?
Si1 N1 Cu1 111.05(15) . . ?
P1 N1 Si1 127.58(18) . . ?
P1 N1 Cu1 117.04(17) . . ?
C17 N2 H2 123(3) . . ?
C20 N2 C17 109.5(3) . . ?
C20 N2 H2 127(3) . . ?
C1 Si1 C2 109.0(2) . . ?
C1 Si1 C3 108.6(2) . . ?
C2 Si1 C3 107.0(2) . . ?
N1 Si1 C1 110.80(18) . . ?
N1 Si1 C2 113.10(19) . . ?
N1 Si1 C3 108.15(17) . . ?
C4 P1 C10 107.16(15) . . ?
C4 P1 C16 106.11(16) . . ?
C10 P1 C16 105.69(16) . . ?
N1 P1 C4 113.01(16) . . ?
N1 P1 C10 111.05(16) . . ?
N1 P1 C16 113.33(16) . . ?
C22 P2 C21 105.01(16) . . ?
C22 P2 C28 108.94(15) . . ?
C28 P2 C21 104.34(16) . . ?
N3 P2 C21 113.21(16) . . ?
N3 P2 C22 110.92(16) . . ?
N3 P2 C28 113.85(16) . . ?
N3 Cu1 N1 170.77(13) . . ?
Cl1 Cu2 Cl2 175.77(5) . . ?
P2 N3 Cu1 123.08(19) . . ?
P2 N3 Si2 126.5(3) . . ?
P2 N3 Si2A 127.3(6) . . ?
Si2 N3 Cu1 110.3(3) . . ?
Si2A N3 Cu1 109.5(6) . . ?
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 . . ?
N3 Si2 C35 107.4(4) . . ?
N3 Si2 C34 112.2(4) . . ?
N3 Si2 C36 110.7(4) . . ?
C35 Si2 C34 108.2(4) . . ?
C35 Si2 C36 106.3(4) . . ?
C36 Si2 C34 111.7(5) . . ?
Si2 C34 H34A 109.5 . . ?
Si2 C34 H34B 109.5 . . ?
Si2 C34 H34C 109.5 . . ?
H34A C34 H34B 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
Si2 C36 H36A 109.5 . . ?
Si2 C36 H36B 109.5 . . ?
Si2 C36 H36C 109.5 . . ?
H36A C36 H36B 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
H35D C35A H35E 109.5 . . ?
H35D C35A H35F 109.5 . . ?
H35E C35A H35F 109.5 . . ?
Si2A C35A H35D 109.5 . . ?
Si2A C35A H35E 109.5 . . ?
Si2A C35A H35F 109.5 . . ?
N3 Si2A C35A 106.1(10) . . ?
N3 Si2A C34A 118.1(10) . . ?
N3 Si2A C36A 118.3(11) . . ?
C34A Si2A C35A 109.2(11) . . ?
C34A Si2A C36A 100.0(10) . . ?
C36A Si2A C35A 104.2(10) . . ?
Si2A C34A H34D 109.5 . . ?
Si2A C34A H34E 109.5 . . ?
Si2A C34A H34F 109.5 . . ?
H34D C34A H34E 109.5 . . ?
H34D C34A H34F 109.5 . . ?
H34E C34A H34F 109.5 . . ?
Si2A C36A H36D 109.5 . . ?
Si2A C36A H36E 109.5 . . ?
Si2A C36A H36F 109.5 . . ?
H36D C36A H36E 109.5 . . ?
H36D C36A H36F 109.5 . . ?
H36E C36A H36F 109.5 . . ?

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 Cl2 0.81(4) 2.55(4) 3.247(3) 146(3) . 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 0.3(6) . . . . ?
C5 C4 C9 C8 -3.1(5) . . . . ?
C5 C4 P1 C10 -77.6(3) . . . . ?
C5 C4 P1 C16 169.9(3) . . . . ?
C5 C4 P1 N1 45.1(3) . . . . ?
C5 C6 C7 C8 -2.5(6) . . . . ?
C6 C7 C8 C9 1.9(6) . . . . ?
C7 C8 C9 C4 0.9(5) . . . . ?
C9 C4 C5 C6 2.5(5) . . . . ?
C9 C4 P1 C10 107.2(3) . . . . ?
C9 C4 P1 C16 -5.4(3) . . . . ?
C9 C4 P1 N1 -130.2(3) . . . . ?
C10 C11 C12 C13 1.2(5) . . . . ?
C11 C10 C15 C14 -1.6(5) . . . . ?
C11 C10 P1 C4 -65.9(3) . . . . ?
C11 C10 P1 C16 46.9(3) . . . . ?
C11 C10 P1 N1 170.2(3) . . . . ?
C11 C12 C13 C14 -1.6(6) . . . . ?
C12 C13 C14 C15 0.4(6) . . . . ?
C13 C14 C15 C10 1.2(5) . . . . ?
C15 C10 C11 C12 0.4(5) . . . . ?
C15 C10 P1 C4 111.5(3) . . . . ?
C15 C10 P1 C16 -135.7(3) . . . . ?
C15 C10 P1 N1 -12.4(3) . . . . ?
C16 C17 C18 C19 -170.3(3) . . . . ?
C16 C17 N2 C20 171.2(3) . . . . ?
C17 C16 P1 C4 -160.0(2) . . . . ?
C17 C16 P1 C10 86.4(3) . . . . ?
C17 C16 P1 N1 -35.5(3) . . . . ?
C17 C18 C19 C20 0.1(4) . . . . ?
C18 C17 N2 C20 0.2(4) . . . . ?
C18 C19 C20 C21 173.0(4) . . . . ?
C18 C19 C20 N2 0.0(4) . . . . ?
C19 C20 C21 P2 -72.2(5) . . . . ?
C19 C20 N2 C17 -0.1(4) . . . . ?
C20 C21 P2 C22 -174.9(2) . . . . ?
C20 C21 P2 C28 70.6(3) . . . . ?
C20 C21 P2 N3 -53.7(3) . . . . ?
C21 C20 N2 C17 -174.2(3) . . . . ?
C21 P2 N3 Cu1 35.5(2) . . . . ?
C21 P2 N3 Si2 -148.3(4) . . . . ?
C21 P2 N3 Si2A -148.5(8) . . . . ?
C22 C23 C24 C25 0.2(6) . . . . ?
C22 P2 N3 Cu1 153.23(18) . . . . ?
C22 P2 N3 Si2 -30.5(4) . . . . ?
C22 P2 N3 Si2A -30.7(8) . . . . ?
C23 C22 C27 C26 0.7(5) . . . . ?
C23 C22 P2 C21 65.9(3) . . . . ?
C23 C22 P2 C28 177.2(3) . . . . ?
C23 C22 P2 N3 -56.7(3) . . . . ?
C23 C24 C25 C26 0.3(6) . . . . ?
C24 C25 C26 C27 -0.3(6) . . . . ?
C25 C26 C27 C22 -0.2(5) . . . . ?
C27 C22 C23 C24 -0.7(5) . . . . ?
C27 C22 P2 C21 -119.2(3) . . . . ?
C27 C22 P2 C28 -7.9(4) . . . . ?
C27 C22 P2 N3 118.2(3) . . . . ?
C28 C29 C30 C31 -1.5(5) . . . . ?
C28 P2 N3 Cu1 -83.5(2) . . . . ?
C28 P2 N3 Si2 92.8(4) . . . . ?
C28 P2 N3 Si2A 92.6(8) . . . . ?
C29 C28 C33 C32 -0.3(5) . . . . ?
C29 C28 P2 C21 47.4(3) . . . . ?
C29 C28 P2 C22 -64.4(3) . . . . ?
C29 C28 P2 N3 171.3(3) . . . . ?
C29 C30 C31 C32 0.3(6) . . . . ?
C30 C31 C32 C33 1.0(6) . . . . ?
C31 C32 C33 C28 -0.9(5) . . . . ?
C33 C28 C29 C30 1.5(5) . . . . ?
C33 C28 P2 C21 -129.0(3) . . . . ?
C33 C28 P2 C22 119.2(3) . . . . ?
C33 C28 P2 N3 -5.1(3) . . . . ?
N2 C17 C18 C19 -0.2(4) . . . . ?
N2 C20 C21 P2 100.1(3) . . . . ?
Si1 N1 P1 C4 37.6(3) . . . . ?
Si1 N1 P1 C10 158.1(2) . . . . ?
Si1 N1 P1 C16 -83.1(3) . . . . ?
P1 C4 C5 C6 -172.9(3) . . . . ?
P1 C4 C9 C8 172.2(3) . . . . ?
P1 C10 C11 C12 177.9(3) . . . . ?
P1 C10 C15 C14 -179.0(3) . . . . ?
P1 C16 C17 C18 111.1(4) . . . . ?
P1 C16 C17 N2 -57.7(4) . . . . ?
P1 N1 Si1 C1 -110.1(3) . . . . ?
P1 N1 Si1 C2 12.6(3) . . . . ?
P1 N1 Si1 C3 131.0(2) . . . . ?
P2 C22 C23 C24 174.4(3) . . . . ?
P2 C22 C27 C26 -174.0(3) . . . . ?
P2 C28 C29 C30 -174.9(3) . . . . ?
P2 C28 C33 C32 176.2(3) . . . . ?
P2 N3 Si2 C35 -142.7(4) . . . . ?
P2 N3 Si2 C34 -24.0(7) . . . . ?
P2 N3 Si2 C36 101.6(4) . . . . ?
P2 N3 Si2A C35A -132.0(8) . . . . ?
P2 N3 Si2A C34A -9.2(16) . . . . ?
P2 N3 Si2A C36A 111.6(11) . . . . ?
Cu1 N1 Si1 C1 94.3(2) . . . . ?
Cu1 N1 Si1 C2 -143.0(2) . . . . ?
Cu1 N1 Si1 C3 -24.6(2) . . . . ?
Cu1 N1 P1 C4 -168.00(16) . . . . ?
Cu1 N1 P1 C10 -47.5(2) . . . . ?
Cu1 N1 P1 C16 71.2(2) . . . . ?
Cu1 N3 Si2 C35 33.9(5) . . . . ?
Cu1 N3 Si2 C34 152.7(4) . . . . ?
Cu1 N3 Si2 C36 -81.8(4) . . . . ?
Cu1 N3 Si2A C35A 44.5(11) . . . . ?
Cu1 N3 Si2A C34A 167.3(11) . . . . ?
Cu1 N3 Si2A C36A -71.9(12) . . . . ?

#####################################################################################################################################################################################################################
_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_AgOTf
_database_code_depnum_ccdc_archive 'CCDC 2074439'
loop_
_audit_author_name
_audit_author_address
'Ganesan Mani'
;Indian Institute of Technology, Kharagpur
India
;
_audit_update_record             
;
2021-03-31 deposited with the CCDC.	2021-04-29 downloaded from the CCDC.
;
_audit_creation_date             2021-03-17
_audit_creation_method           
;
Olex2 1.3-alpha
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C36 H45 Ag N3 P2 Si2, C F3 O3 S, C4 H8 O'
_chemical_formula_sum            'C41 H53 Ag F3 N3 O4 P2 S Si2'
_chemical_formula_weight         966.91
_chemical_melting_point          ?
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'
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'
S S 0.1246 0.1234 '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'

_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.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.9555(7)
_cell_length_b                   14.0616(9)
_cell_length_c                   15.4846(10)
_cell_angle_alpha                104.836(2)
_cell_angle_beta                 101.804(2)
_cell_angle_gamma                92.257(2)
_cell_volume                     2246.5(3)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    7871
_cell_measurement_temperature    100.15
_cell_measurement_theta_max      25
_cell_measurement_theta_min      1.5
_shelx_estimated_absorpt_T_max   0.977
_shelx_estimated_absorpt_T_min   0.915
_exptl_absorpt_coefficient_mu    0.675
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.895
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_lustre     .
_exptl_crystal_colour_modifier   .
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.429
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1000
_exptl_crystal_size_max          0.134
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.035
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0731
_diffrn_reflns_av_unetI/netI     0.0795
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            26786
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        24.999
_diffrn_reflns_theta_max         24.999
_diffrn_reflns_theta_min         1.505
_diffrn_ambient_temperature      100.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker-APEX II'
_diffrn_measurement_method       ?
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5727
_reflns_number_total             7871
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_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)'
_refine_diff_density_max         0.881
_refine_diff_density_min         -0.669
_refine_diff_density_rms         0.097
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     518
_refine_ls_number_reflns         7871
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0805
_refine_ls_R_factor_gt           0.0507
_refine_ls_restrained_S_all      1.031
_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)+(0.0479P)²+1.8909P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1060
_refine_ls_wR_factor_ref         0.1177
_refine_special_details          ?
_olex2_refinement_description    
;
1.a Secondary CH2 refined with riding coordinates:
 C16(H16A,H16B), C21(H21A,H21B), C38(H38A,H38B), C39(H39A,H39B), C40(H40A,
 H40B), C41(H41A,H41B)
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)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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 1.2732(5) 0.2306(4) 0.1883(4) 0.0435(15) Uani 1 1 d . . . . .
H1A H 1.314585 0.233469 0.138525 0.065 Uiso 1 1 calc R U . . .
H1B H 1.318376 0.278143 0.245150 0.065 Uiso 1 1 calc R U . . .
H1C H 1.273034 0.163821 0.196668 0.065 Uiso 1 1 calc R U . . .
C2 C 1.0273(5) 0.1671(4) 0.0526(3) 0.0320(12) Uani 1 1 d . . . . .
H2A H 1.070347 0.168371 0.003254 0.048 Uiso 1 1 calc R U . . .
H2B H 1.028172 0.101473 0.063521 0.048 Uiso 1 1 calc R U . . .
H2C H 0.940457 0.181765 0.034960 0.048 Uiso 1 1 calc R U . . .
C3 C 1.1103(6) 0.3828(4) 0.1317(4) 0.0503(17) Uani 1 1 d . . . . .
H3A H 1.155606 0.380265 0.082899 0.075 Uiso 1 1 calc R U . . .
H3B H 1.024012 0.397169 0.111295 0.075 Uiso 1 1 calc R U . . .
H3C H 1.152039 0.434835 0.186491 0.075 Uiso 1 1 calc R U . . .
C4 C 0.8426(5) 0.3693(3) 0.3073(3) 0.0279(12) Uani 1 1 d . . . . .
C5 C 0.7630(5) 0.3272(4) 0.2211(3) 0.0284(12) Uani 1 1 d . . . . .
H5 H 0.794488 0.285102 0.173827 0.034 Uiso 1 1 calc R U . . .
C6 C 0.6394(5) 0.3467(4) 0.2048(4) 0.0365(13) Uani 1 1 d . . . . .
H6 H 0.585744 0.317584 0.146469 0.044 Uiso 1 1 calc R U . . .
C7 C 0.5933(5) 0.4083(4) 0.2727(4) 0.0360(13) Uani 1 1 d . . . . .
H7 H 0.507996 0.421485 0.260838 0.043 Uiso 1 1 calc R U . . .
C8 C 0.6695(5) 0.4508(4) 0.3578(3) 0.0345(13) Uani 1 1 d . . . . .
H8 H 0.637464 0.493291 0.404510 0.041 Uiso 1 1 calc R U . . .
C9 C 0.7943(5) 0.4307(3) 0.3743(3) 0.0293(12) Uani 1 1 d . . . . .
H9 H 0.847252 0.459934 0.432810 0.035 Uiso 1 1 calc R U . . .
C10 C 1.1004(5) 0.4559(3) 0.3496(3) 0.0248(11) Uani 1 1 d . . . . .
C11 C 1.0517(5) 0.5391(4) 0.3292(3) 0.0293(12) Uani 1 1 d . . . . .
H11 H 0.963947 0.539150 0.308383 0.035 Uiso 1 1 calc R U . . .
C12 C 1.1309(5) 0.6219(4) 0.3393(3) 0.0354(13) Uani 1 1 d . . . . .
H12 H 1.096825 0.678783 0.325635 0.042 Uiso 1 1 calc R U . . .
C13 C 1.2591(5) 0.6234(4) 0.3689(3) 0.0320(12) Uani 1 1 d . . . . .
H13 H 1.313095 0.679857 0.373559 0.038 Uiso 1 1 calc R U . . .
C14 C 1.3076(5) 0.5416(4) 0.3918(3) 0.0318(12) Uani 1 1 d . . . . .
H14 H 1.395232 0.542995 0.414464 0.038 Uiso 1 1 calc R U . . .
C15 C 1.2304(4) 0.4578(3) 0.3821(3) 0.0249(11) Uani 1 1 d . . . . .
H15 H 1.264868 0.401737 0.397260 0.030 Uiso 1 1 calc R U . . .
C16 C 1.0328(4) 0.3093(3) 0.4369(3) 0.0242(11) Uani 1 1 d . . . . .
H16A H 1.122290 0.298651 0.454239 0.029 Uiso 1 1 calc R U . . .
H16B H 1.015467 0.365289 0.484962 0.029 Uiso 1 1 calc R U . . .
C17 C 0.9545(4) 0.2191(3) 0.4331(3) 0.0238(11) Uani 1 1 d . . . . .
C18 C 0.8311(5) 0.2072(4) 0.4377(3) 0.0272(11) Uani 1 1 d . . . . .
H18 H 0.777288 0.258309 0.448342 0.033 Uiso 1 1 calc R U . . .
C19 C 0.7986(5) 0.1054(4) 0.4236(3) 0.0283(12) Uani 1 1 d . . . . .
H19 H 0.719246 0.075734 0.423678 0.034 Uiso 1 1 calc R U . . .
C20 C 0.9014(4) 0.0573(4) 0.4100(3) 0.0242(11) Uani 1 1 d . . . . .
C21 C 0.9109(5) -0.0518(3) 0.3819(3) 0.0283(12) Uani 1 1 d . . . . .
H21A H 0.836374 -0.086948 0.390946 0.034 Uiso 1 1 calc R U . . .
H21B H 0.985946 -0.067750 0.421451 0.034 Uiso 1 1 calc R U . . .
C22 C 0.8683(4) -0.2255(3) 0.2256(3) 0.0238(11) Uani 1 1 d . . . . .
C23 C 0.7801(5) -0.2655(4) 0.2630(3) 0.0328(12) Uani 1 1 d . . . . .
H23 H 0.750325 -0.224518 0.311824 0.039 Uiso 1 1 calc R U . . .
C24 C 0.7358(5) -0.3635(4) 0.2303(3) 0.0362(13) Uani 1 1 d . . . . .
H24 H 0.676322 -0.390164 0.256739 0.043 Uiso 1 1 calc R U . . .
C25 C 0.7780(5) -0.4237(4) 0.1585(3) 0.0352(13) Uani 1 1 d . . . . .
H25 H 0.746779 -0.491469 0.135505 0.042 Uiso 1 1 calc R U . . .
C26 C 0.8647(5) -0.3855(4) 0.1205(3) 0.0358(13) Uani 1 1 d . . . . .
H26 H 0.893186 -0.426890 0.071267 0.043 Uiso 1 1 calc R U . . .
C27 C 0.9109(5) -0.2866(3) 0.1540(3) 0.0293(12) Uani 1 1 d . . . . .
H27 H 0.971624 -0.260523 0.128114 0.035 Uiso 1 1 calc R U . . .
C28 C 1.0869(4) -0.0890(3) 0.2627(3) 0.0248(11) Uani 1 1 d . . . . .
C29 C 1.1733(5) -0.1131(3) 0.3324(3) 0.0297(12) Uani 1 1 d . . . . .
H29 H 1.145678 -0.128492 0.381984 0.036 Uiso 1 1 calc R U . . .
C30 C 1.2977(5) -0.1144(4) 0.3291(3) 0.0338(13) Uani 1 1 d . . . . .
H30 H 1.355801 -0.130811 0.376474 0.041 Uiso 1 1 calc R U . . .
C31 C 1.3383(5) -0.0923(4) 0.2581(4) 0.0348(13) Uani 1 1 d . . . . .
H31 H 1.424146 -0.094668 0.255794 0.042 Uiso 1 1 calc R U . . .
C32 C 1.2556(5) -0.0664(4) 0.1896(3) 0.0335(13) Uani 1 1 d . . . . .
H32 H 1.284685 -0.050069 0.141008 0.040 Uiso 1 1 calc R U . . .
C33 C 1.1301(5) -0.0644(3) 0.1921(3) 0.0262(11) Uani 1 1 d . . . . .
H33 H 1.073174 -0.046145 0.145299 0.031 Uiso 1 1 calc R U . . .
C34 C 0.6177(6) -0.1647(4) 0.0914(4) 0.0580(18) Uani 1 1 d . . . . .
H34A H 0.532945 -0.162188 0.056614 0.087 Uiso 1 1 calc R U . . .
H34B H 0.663801 -0.207580 0.051566 0.087 Uiso 1 1 calc R U . . .
H34C H 0.612585 -0.191020 0.143460 0.087 Uiso 1 1 calc R U . . .
C35 C 0.7092(5) 0.0079(4) 0.0331(3) 0.0383(14) Uani 1 1 d . . . . .
H35A H 0.624529 0.005994 -0.003771 0.057 Uiso 1 1 calc R U . . .
H35B H 0.748414 0.076066 0.054122 0.057 Uiso 1 1 calc R U . . .
H35C H 0.759309 -0.033849 -0.004114 0.057 Uiso 1 1 calc R U . . .
C36 C 0.6050(5) 0.0452(4) 0.2015(4) 0.0443(15) Uani 1 1 d . . . . .
H36A H 0.519916 0.041080 0.164528 0.066 Uiso 1 1 calc R U . . .
H36B H 0.601416 0.025207 0.257183 0.066 Uiso 1 1 calc R U . . .
H36C H 0.643671 0.113342 0.218383 0.066 Uiso 1 1 calc R U . . .
C37 C 1.4490(5) 0.1661(4) 0.4402(4) 0.0379(13) Uani 1 1 d . . . . .
C38 C 0.7402(7) 0.3217(5) -0.0400(4) 0.0631(19) Uani 1 1 d . . . . .
H38A H 0.714743 0.249875 -0.055617 0.076 Uiso 1 1 calc R U . . .
H38B H 0.818864 0.337157 0.007888 0.076 Uiso 1 1 calc R U . . .
C39 C 0.7587(6) 0.3515(4) -0.1246(4) 0.0504(16) Uani 1 1 d . . . . .
H39A H 0.822728 0.408593 -0.108407 0.061 Uiso 1 1 calc R U . . .
H39B H 0.782718 0.295868 -0.169640 0.061 Uiso 1 1 calc R U . . .
C40 C 0.6306(6) 0.3785(5) -0.1600(4) 0.0590(18) Uani 1 1 d . . . . .
H40A H 0.634554 0.426233 -0.196766 0.071 Uiso 1 1 calc R U . . .
H40B H 0.574518 0.319210 -0.198010 0.071 Uiso 1 1 calc R U . . .
C41 C 0.5869(6) 0.4242(6) -0.0746(4) 0.070(2) Uani 1 1 d . . . . .
H41A H 0.612292 0.496177 -0.053507 0.084 Uiso 1 1 calc R U . . .
H41B H 0.494519 0.413401 -0.085613 0.084 Uiso 1 1 calc R U . . .
N1 N 1.0308(4) 0.2578(3) 0.2454(2) 0.0243(9) Uani 1 1 d . . . . .
N3 N 0.8522(4) -0.0338(3) 0.1969(2) 0.0241(9) Uani 1 1 d . . . . .
N2 N 0.9975(4) 0.1268(3) 0.4154(2) 0.0229(9) Uani 1 1 d . . . . .
O1 O 1.2591(3) 0.1551(3) 0.5094(3) 0.0455(10) Uani 1 1 d . . . . .
O2 O 1.3446(3) 0.3165(3) 0.5113(3) 0.0447(10) Uani 1 1 d . . . . .
O3 O 1.4568(3) 0.2282(3) 0.6116(2) 0.0453(10) Uani 1 1 d . . . . .
O4 O 0.6448(5) 0.3766(4) -0.0086(3) 0.0731(14) Uani 1 1 d . . . . .
F1 F 1.4902(3) 0.0806(2) 0.4497(2) 0.0492(8) Uani 1 1 d . . . . .
F2 F 1.3739(3) 0.1475(3) 0.3578(2) 0.0635(10) Uani 1 1 d . . . . .
F3 F 1.5470(3) 0.2248(3) 0.4401(3) 0.0647(10) Uani 1 1 d . . . . .
P1 P 1.00393(12) 0.34157(9) 0.32766(8) 0.0236(3) Uani 1 1 d . . . . .
P2 P 0.92148(12) -0.09496(9) 0.26177(8) 0.0226(3) Uani 1 1 d . . . . .
S1 S 1.36861(12) 0.22311(10) 0.52830(8) 0.0313(3) Uani 1 1 d . . . . .
Ag1 Ag 0.94325(3) 0.11328(3) 0.22804(2) 0.02404(12) Uani 1 1 d . . . . .
Si1 Si 1.10901(13) 0.26169(10) 0.15931(9) 0.0281(3) Uani 1 1 d . . . . .
Si2 Si 0.70015(13) -0.03865(10) 0.13386(9) 0.0283(3) Uani 1 1 d . . . . .
H2 H 1.075(4) 0.118(3) 0.418(3) 0.016(13) Uiso 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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 1.860(6) . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C2 Si1 1.864(5) . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C3 Si1 1.859(6) . ?
C4 C5 1.404(6) . ?
C4 C9 1.380(6) . ?
C4 P1 1.807(5) . ?
C5 H5 0.9500 . ?
C5 C6 1.378(7) . ?
C6 H6 0.9500 . ?
C6 C7 1.377(7) . ?
C7 H7 0.9500 . ?
C7 C8 1.378(7) . ?
C8 H8 0.9500 . ?
C8 C9 1.392(7) . ?
C9 H9 0.9500 . ?
C10 C11 1.386(7) . ?
C10 C15 1.407(7) . ?
C10 P1 1.805(5) . ?
C11 H11 0.9500 . ?
C11 C12 1.380(7) . ?
C12 H12 0.9500 . ?
C12 C13 1.383(7) . ?
C13 H13 0.9500 . ?
C13 C14 1.382(7) . ?
C14 H14 0.9500 . ?
C14 C15 1.379(7) . ?
C15 H15 0.9500 . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C16 C17 1.485(6) . ?
C16 P1 1.831(4) . ?
C17 C18 1.374(7) . ?
C17 N2 1.378(6) . ?
C18 H18 0.9500 . ?
C18 C19 1.412(7) . ?
C19 H19 0.9500 . ?
C19 C20 1.362(7) . ?
C20 C21 1.497(6) . ?
C20 N2 1.384(6) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C21 P2 1.833(4) . ?
C22 C23 1.393(7) . ?
C22 C27 1.392(7) . ?
C22 P2 1.811(5) . ?
C23 H23 0.9500 . ?
C23 C24 1.371(7) . ?
C24 H24 0.9500 . ?
C24 C25 1.387(7) . ?
C25 H25 0.9500 . ?
C25 C26 1.373(7) . ?
C26 H26 0.9500 . ?
C26 C27 1.389(7) . ?
C27 H27 0.9500 . ?
C28 C29 1.403(6) . ?
C28 C33 1.390(6) . ?
C28 P2 1.808(5) . ?
C29 H29 0.9500 . ?
C29 C30 1.376(7) . ?
C30 H30 0.9500 . ?
C30 C31 1.367(7) . ?
C31 H31 0.9500 . ?
C31 C32 1.381(7) . ?
C32 H32 0.9500 . ?
C32 C33 1.385(7) . ?
C33 H33 0.9500 . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C34 Si2 1.850(6) . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C35 Si2 1.858(5) . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C36 Si2 1.867(6) . ?
C37 F1 1.333(6) . ?
C37 F2 1.325(6) . ?
C37 F3 1.329(6) . ?
C37 S1 1.807(6) . ?
C38 H38A 0.9900 . ?
C38 H38B 0.9900 . ?
C38 C39 1.523(9) . ?
C38 O4 1.416(8) . ?
C39 H39A 0.9900 . ?
C39 H39B 0.9900 . ?
C39 C40 1.499(8) . ?
C40 H40A 0.9900 . ?
C40 H40B 0.9900 . ?
C40 C41 1.496(8) . ?
C41 H41A 0.9900 . ?
C41 H41B 0.9900 . ?
C41 O4 1.419(8) . ?
N1 P1 1.584(4) . ?
N1 Ag1 2.140(4) . ?
N1 Si1 1.737(4) . ?
N3 P2 1.584(4) . ?
N3 Ag1 2.153(4) . ?
N3 Si2 1.738(4) . ?
N2 H2 0.86(4) . ?
O1 S1 1.436(4) . ?
O2 S1 1.428(4) . ?
O3 S1 1.428(3) . ?

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 P1 119.5(4) . . ?
C9 C4 C5 118.5(5) . . ?
C9 C4 P1 122.0(4) . . ?
C4 C5 H5 119.9 . . ?
C6 C5 C4 120.3(5) . . ?
C6 C5 H5 119.9 . . ?
C5 C6 H6 119.9 . . ?
C7 C6 C5 120.2(5) . . ?
C7 C6 H6 119.9 . . ?
C6 C7 H7 119.6 . . ?
C6 C7 C8 120.7(5) . . ?
C8 C7 H7 119.6 . . ?
C7 C8 H8 120.5 . . ?
C7 C8 C9 119.0(5) . . ?
C9 C8 H8 120.5 . . ?
C4 C9 C8 121.3(4) . . ?
C4 C9 H9 119.3 . . ?
C8 C9 H9 119.3 . . ?
C11 C10 C15 119.2(4) . . ?
C11 C10 P1 122.1(4) . . ?
C15 C10 P1 118.5(4) . . ?
C10 C11 H11 120.0 . . ?
C12 C11 C10 119.9(5) . . ?
C12 C11 H11 120.0 . . ?
C11 C12 H12 119.5 . . ?
C11 C12 C13 121.1(5) . . ?
C13 C12 H12 119.5 . . ?
C12 C13 H13 120.5 . . ?
C14 C13 C12 119.1(5) . . ?
C14 C13 H13 120.5 . . ?
C13 C14 H14 119.6 . . ?
C15 C14 C13 120.9(5) . . ?
C15 C14 H14 119.6 . . ?
C10 C15 H15 120.1 . . ?
C14 C15 C10 119.7(5) . . ?
C14 C15 H15 120.1 . . ?
H16A C16 H16B 107.8 . . ?
C17 C16 H16A 109.0 . . ?
C17 C16 H16B 109.0 . . ?
C17 C16 P1 112.7(3) . . ?
P1 C16 H16A 109.0 . . ?
P1 C16 H16B 109.0 . . ?
C18 C17 C16 130.0(4) . . ?
C18 C17 N2 107.8(4) . . ?
N2 C17 C16 122.0(4) . . ?
C17 C18 H18 126.2 . . ?
C17 C18 C19 107.6(4) . . ?
C19 C18 H18 126.2 . . ?
C18 C19 H19 126.1 . . ?
C20 C19 C18 107.8(4) . . ?
C20 C19 H19 126.1 . . ?
C19 C20 C21 128.3(4) . . ?
C19 C20 N2 108.1(4) . . ?
N2 C20 C21 123.2(4) . . ?
C20 C21 H21A 109.3 . . ?
C20 C21 H21B 109.3 . . ?
C20 C21 P2 111.7(3) . . ?
H21A C21 H21B 107.9 . . ?
P2 C21 H21A 109.3 . . ?
P2 C21 H21B 109.3 . . ?
C23 C22 P2 122.1(4) . . ?
C27 C22 C23 119.0(4) . . ?
C27 C22 P2 118.8(4) . . ?
C22 C23 H23 119.6 . . ?
C24 C23 C22 120.7(5) . . ?
C24 C23 H23 119.6 . . ?
C23 C24 H24 120.0 . . ?
C23 C24 C25 120.0(5) . . ?
C25 C24 H24 120.0 . . ?
C24 C25 H25 119.9 . . ?
C26 C25 C24 120.1(5) . . ?
C26 C25 H25 119.9 . . ?
C25 C26 H26 119.9 . . ?
C25 C26 C27 120.2(5) . . ?
C27 C26 H26 119.9 . . ?
C22 C27 H27 120.0 . . ?
C26 C27 C22 120.0(5) . . ?
C26 C27 H27 120.0 . . ?
C29 C28 P2 120.8(4) . . ?
C33 C28 C29 118.8(5) . . ?
C33 C28 P2 120.3(4) . . ?
C28 C29 H29 119.9 . . ?
C30 C29 C28 120.2(5) . . ?
C30 C29 H29 119.9 . . ?
C29 C30 H30 119.8 . . ?
C31 C30 C29 120.3(5) . . ?
C31 C30 H30 119.8 . . ?
C30 C31 H31 119.7 . . ?
C30 C31 C32 120.6(5) . . ?
C32 C31 H31 119.7 . . ?
C31 C32 H32 120.1 . . ?
C31 C32 C33 119.8(5) . . ?
C33 C32 H32 120.1 . . ?
C28 C33 H33 119.9 . . ?
C32 C33 C28 120.3(5) . . ?
C32 C33 H33 119.9 . . ?
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 . . ?
F1 C37 S1 112.6(4) . . ?
F2 C37 F1 107.1(4) . . ?
F2 C37 F3 106.9(5) . . ?
F2 C37 S1 111.0(4) . . ?
F3 C37 F1 107.5(4) . . ?
F3 C37 S1 111.5(4) . . ?
H38A C38 H38B 108.7 . . ?
C39 C38 H38A 110.5 . . ?
C39 C38 H38B 110.5 . . ?
O4 C38 H38A 110.5 . . ?
O4 C38 H38B 110.5 . . ?
O4 C38 C39 106.3(5) . . ?
C38 C39 H39A 111.5 . . ?
C38 C39 H39B 111.5 . . ?
H39A C39 H39B 109.3 . . ?
C40 C39 C38 101.3(5) . . ?
C40 C39 H39A 111.5 . . ?
C40 C39 H39B 111.5 . . ?
C39 C40 H40A 111.1 . . ?
C39 C40 H40B 111.1 . . ?
H40A C40 H40B 109.0 . . ?
C41 C40 C39 103.4(5) . . ?
C41 C40 H40A 111.1 . . ?
C41 C40 H40B 111.1 . . ?
C40 C41 H41A 110.6 . . ?
C40 C41 H41B 110.6 . . ?
H41A C41 H41B 108.7 . . ?
O4 C41 C40 105.7(6) . . ?
O4 C41 H41A 110.6 . . ?
O4 C41 H41B 110.6 . . ?
P1 N1 Ag1 115.4(2) . . ?
P1 N1 Si1 132.1(2) . . ?
Si1 N1 Ag1 112.27(18) . . ?
P2 N3 Ag1 111.86(19) . . ?
P2 N3 Si2 134.9(2) . . ?
Si2 N3 Ag1 109.46(19) . . ?
C17 N2 C20 108.7(4) . . ?
C17 N2 H2 123(3) . . ?
C20 N2 H2 127(3) . . ?
C38 O4 C41 110.2(5) . . ?
C4 P1 C16 105.4(2) . . ?
C10 P1 C4 107.2(2) . . ?
C10 P1 C16 105.2(2) . . ?
N1 P1 C4 112.0(2) . . ?
N1 P1 C10 112.7(2) . . ?
N1 P1 C16 113.6(2) . . ?
C22 P2 C21 106.0(2) . . ?
C28 P2 C21 105.9(2) . . ?
C28 P2 C22 105.2(2) . . ?
N3 P2 C21 115.0(2) . . ?
N3 P2 C22 113.95(19) . . ?
N3 P2 C28 110.1(2) . . ?
O1 S1 C37 102.7(2) . . ?
O2 S1 C37 103.4(2) . . ?
O2 S1 O1 114.7(2) . . ?
O3 S1 C37 103.7(2) . . ?
O3 S1 O1 115.1(2) . . ?
O3 S1 O2 114.8(2) . . ?
N1 Ag1 N3 174.61(13) . . ?
C1 Si1 C2 107.4(2) . . ?
C3 Si1 C1 108.9(3) . . ?
C3 Si1 C2 106.9(2) . . ?
N1 Si1 C1 111.5(2) . . ?
N1 Si1 C2 108.4(2) . . ?
N1 Si1 C3 113.4(2) . . ?
C34 Si2 C35 108.1(3) . . ?
C34 Si2 C36 109.3(3) . . ?
C35 Si2 C36 106.8(3) . . ?
N3 Si2 C34 113.6(2) . . ?
N3 Si2 C35 107.7(2) . . ?
N3 Si2 C36 111.1(2) . . ?

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 0.5(8) . . . . ?
C5 C4 C9 C8 0.3(7) . . . . ?
C5 C4 P1 C10 116.1(4) . . . . ?
C5 C4 P1 C16 -132.1(4) . . . . ?
C5 C4 P1 N1 -8.1(5) . . . . ?
C5 C6 C7 C8 -0.2(8) . . . . ?
C6 C7 C8 C9 0.0(8) . . . . ?
C7 C8 C9 C4 0.0(8) . . . . ?
C9 C4 C5 C6 -0.5(7) . . . . ?
C9 C4 P1 C10 -64.1(5) . . . . ?
C9 C4 P1 C16 47.6(5) . . . . ?
C9 C4 P1 N1 171.7(4) . . . . ?
C10 C11 C12 C13 0.4(7) . . . . ?
C11 C10 C15 C14 -1.1(7) . . . . ?
C11 C10 P1 C4 -14.8(4) . . . . ?
C11 C10 P1 C16 -126.7(4) . . . . ?
C11 C10 P1 N1 108.9(4) . . . . ?
C11 C12 C13 C14 -2.3(7) . . . . ?
C12 C13 C14 C15 2.4(7) . . . . ?
C13 C14 C15 C10 -0.8(7) . . . . ?
C15 C10 C11 C12 1.2(7) . . . . ?
C15 C10 P1 C4 169.9(3) . . . . ?
C15 C10 P1 C16 58.0(4) . . . . ?
C15 C10 P1 N1 -66.4(4) . . . . ?
C16 C17 C18 C19 175.4(4) . . . . ?
C16 C17 N2 C20 -175.9(4) . . . . ?
C17 C16 P1 C4 63.4(4) . . . . ?
C17 C16 P1 C10 176.6(3) . . . . ?
C17 C16 P1 N1 -59.7(4) . . . . ?
C17 C18 C19 C20 -0.6(5) . . . . ?
C18 C17 N2 C20 -0.8(5) . . . . ?
C18 C19 C20 C21 -172.5(4) . . . . ?
C18 C19 C20 N2 0.1(5) . . . . ?
C19 C20 C21 P2 105.0(5) . . . . ?
C19 C20 N2 C17 0.4(5) . . . . ?
C20 C21 P2 C22 -157.1(3) . . . . ?
C20 C21 P2 C28 91.5(4) . . . . ?
C20 C21 P2 N3 -30.3(4) . . . . ?
C21 C20 N2 C17 173.5(4) . . . . ?
C22 C23 C24 C25 -0.6(8) . . . . ?
C23 C22 C27 C26 0.6(7) . . . . ?
C23 C22 P2 C21 29.9(4) . . . . ?
C23 C22 P2 C28 141.8(4) . . . . ?
C23 C22 P2 N3 -97.5(4) . . . . ?
C23 C24 C25 C26 0.5(8) . . . . ?
C24 C25 C26 C27 0.2(7) . . . . ?
C25 C26 C27 C22 -0.7(7) . . . . ?
C27 C22 C23 C24 0.1(7) . . . . ?
C27 C22 P2 C21 -154.3(4) . . . . ?
C27 C22 P2 C28 -42.4(4) . . . . ?
C27 C22 P2 N3 78.3(4) . . . . ?
C28 C29 C30 C31 0.0(7) . . . . ?
C29 C28 C33 C32 1.7(7) . . . . ?
C29 C28 P2 C21 37.4(4) . . . . ?
C29 C28 P2 C22 -74.5(4) . . . . ?
C29 C28 P2 N3 162.3(4) . . . . ?
C29 C30 C31 C32 1.3(7) . . . . ?
C30 C31 C32 C33 -1.0(7) . . . . ?
C31 C32 C33 C28 -0.5(7) . . . . ?
C33 C28 C29 C30 -1.5(7) . . . . ?
C33 C28 P2 C21 -145.3(4) . . . . ?
C33 C28 P2 C22 102.8(4) . . . . ?
C33 C28 P2 N3 -20.4(4) . . . . ?
C38 C39 C40 C41 35.4(7) . . . . ?
C39 C38 O4 C41 10.5(7) . . . . ?
C39 C40 C41 O4 -30.6(7) . . . . ?
C40 C41 O4 C38 12.5(7) . . . . ?
N2 C17 C18 C19 0.8(5) . . . . ?
N2 C20 C21 P2 -66.6(5) . . . . ?
O4 C38 C39 C40 -28.7(6) . . . . ?
F1 C37 S1 O1 -66.2(4) . . . . ?
F1 C37 S1 O2 174.1(4) . . . . ?
F1 C37 S1 O3 54.0(4) . . . . ?
F2 C37 S1 O1 53.8(4) . . . . ?
F2 C37 S1 O2 -65.8(4) . . . . ?
F2 C37 S1 O3 174.0(4) . . . . ?
F3 C37 S1 O1 172.8(4) . . . . ?
F3 C37 S1 O2 53.2(4) . . . . ?
F3 C37 S1 O3 -67.0(4) . . . . ?
P1 C4 C5 C6 179.3(4) . . . . ?
P1 C4 C9 C8 -179.5(4) . . . . ?
P1 C10 C11 C12 -174.0(4) . . . . ?
P1 C10 C15 C14 174.4(3) . . . . ?
P1 C16 C17 C18 -79.1(5) . . . . ?
P1 C16 C17 N2 94.8(4) . . . . ?
P1 N1 Si1 C1 97.7(4) . . . . ?
P1 N1 Si1 C2 -144.3(3) . . . . ?
P1 N1 Si1 C3 -25.7(4) . . . . ?
P2 C22 C23 C24 175.9(4) . . . . ?
P2 C22 C27 C26 -175.4(4) . . . . ?
P2 C28 C29 C30 175.8(4) . . . . ?
P2 C28 C33 C32 -175.6(4) . . . . ?
P2 N3 Si2 C34 -31.1(4) . . . . ?
P2 N3 Si2 C35 -150.7(3) . . . . ?
P2 N3 Si2 C36 92.7(4) . . . . ?
Ag1 N1 P1 C4 -68.5(3) . . . . ?
Ag1 N1 P1 C10 170.5(2) . . . . ?
Ag1 N1 P1 C16 50.9(3) . . . . ?
Ag1 N1 Si1 C1 -88.1(3) . . . . ?
Ag1 N1 Si1 C2 29.9(3) . . . . ?
Ag1 N1 Si1 C3 148.5(2) . . . . ?
Ag1 N3 P2 C21 68.5(3) . . . . ?
Ag1 N3 P2 C22 -168.8(2) . . . . ?
Ag1 N3 P2 C28 -51.0(3) . . . . ?
Ag1 N3 Si2 C34 173.4(3) . . . . ?
Ag1 N3 Si2 C35 53.8(3) . . . . ?
Ag1 N3 Si2 C36 -62.8(3) . . . . ?
Si1 N1 P1 C4 105.6(3) . . . . ?
Si1 N1 P1 C10 -15.4(4) . . . . ?
Si1 N1 P1 C16 -135.0(3) . . . . ?
Si2 N3 P2 C21 -86.6(4) . . . . ?
Si2 N3 P2 C22 36.0(4) . . . . ?
Si2 N3 P2 C28 153.9(3) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_AgBF4
_database_code_depnum_ccdc_archive 'CCDC 2074438'
loop_
_audit_author_name
_audit_author_address
'Ganesan Mani'
;Indian Institute of Technology, Kharagpur
India
;
_audit_update_record             
;
2021-03-31 deposited with the CCDC.	2021-04-29 downloaded from the CCDC.
;
_audit_creation_date             2021-03-17
_audit_creation_method           
;
Olex2 1.3-alpha
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_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
_chemical_melting_point          ?
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'

_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.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.9222(13)
_cell_length_b                   13.9473(17)
_cell_length_c                   15.3874(18)
_cell_angle_alpha                104.166(4)
_cell_angle_beta                 105.854(3)
_cell_angle_gamma                94.077(4)
_cell_volume                     2162.3(4)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    25086
_cell_measurement_temperature    100.15
_cell_measurement_theta_max      25
_cell_measurement_theta_min      1.5
_shelx_estimated_absorpt_T_max   0.960
_shelx_estimated_absorpt_T_min   0.905
_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_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_lustre     .
_exptl_crystal_colour_modifier   .
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.389
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_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
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_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
_diffrn_ambient_temperature      100.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  'Bruker-APEX II'
_diffrn_measurement_method       ?
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5758
_reflns_number_total             7344
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_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)'
_refine_diff_density_max         0.432
_refine_diff_density_min         -0.571
_refine_diff_density_rms         0.087
_refine_ls_extinction_coef       .
_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_R_factor_all          0.0598
_refine_ls_R_factor_gt           0.0414
_refine_ls_restrained_S_all      1.054
_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
_refine_special_details          ?
_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)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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 . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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_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_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) . . . . ?

###################################################################################################################################################################################################################
_olex2_submission_special_instructions 'No special instructions were received'
