# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2022

####################################################################### 
# 
# 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_twin5d3_1-12
_database_code_depnum_ccdc_archive 'CCDC 2125569'
loop_
_audit_author_name
_audit_author_address
'Regine Herbst-Irmer'
;University of Goettingen
Germany
;
_audit_update_record             
;
2021-12-01 deposited with the CCDC.	2022-10-21 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C33 H37 Au2 Cl2 N2 P Si,0.385(C H2 Cl2)'
_chemical_formula_sum            'C33.39 H37.77 Au2 Cl2.77 N2 P Si'
_chemical_formula_weight         1018.21

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'
Si Si 0.0817 0.0704 '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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   9.108(2)
_cell_length_b                   19.980(3)
_cell_length_c                   19.558(3)
_cell_angle_alpha                90
_cell_angle_beta                 99.34(2)
_cell_angle_gamma                90
_cell_volume                     3511.9(11)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9268
_cell_measurement_theta_min      2.296
_cell_measurement_theta_max      24.743

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.926
_exptl_crystal_F_000             1945
_exptl_transmission_factor_min   0.178317
_exptl_transmission_factor_max   0.429401
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_absorpt_coefficient_mu    8.661
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.178317
_exptl_absorpt_correction_T_max  0.429401
_exptl_absorpt_process_details   
;
 SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D.,
 J. Appl. Cryst. 48 (2015) 3-10
;

_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'INCOATEC Microsource'
_diffrn_measurement_device_type  'Bruker Smart APEX II Quazar'
_diffrn_measurement_method       'omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            137050
_diffrn_reflns_av_unetI/netI     0.0749
_diffrn_reflns_av_R_equivalents  0.1188
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         1.467
_diffrn_reflns_theta_max         26.199
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             8070
_reflns_number_gt                6681
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 _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. Completness statistics refer to single and
 composite reflections containing twin component 1 only.
;

_computing_data_collection       'APEX2 v2012.2'
_computing_cell_refinement       'SAINT V8.40A'
_computing_data_reduction        'SAINT V8.40A'
_computing_structure_solution    
'SHELXT(G.M.Sheldrick,Acta Cryst.(2015)A71,3-8)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'XP Version 5.1'
_computing_publication_material  'XP Version 5.1'
_refine_special_details          
;
 Refined as a 3-component twin.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0649P)²+32.4992P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         8070
_refine_ls_number_parameters     436
_refine_ls_number_restraints     776
_refine_ls_R_factor_all          0.0723
_refine_ls_R_factor_gt           0.0571
_refine_ls_wR_factor_ref         0.1533
_refine_ls_wR_factor_gt          0.1409
_refine_ls_goodness_of_fit_ref   1.064
_refine_ls_restrained_S_all      1.059
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

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
Au1 Au 0.59410(5) 0.31576(2) 0.29980(2) 0.03089(15) Uani 1 1 d . . . . .
Au2 Au 0.43080(5) 0.21501(2) 0.37281(3) 0.04057(17) Uani 1 1 d . . . . .
Cl1 Cl 0.6323(4) 0.25099(17) 0.20785(18) 0.0560(9) Uani 1 1 d . . . . .
Cl2 Cl 0.2373(5) 0.19092(16) 0.2832(3) 0.0882(18) Uani 1 1 d . . . . .
P1 P 0.5537(3) 0.38570(12) 0.38350(14) 0.0279(6) Uani 1 1 d . U . . .
Si1 Si 0.6088(4) 0.22879(14) 0.46501(17) 0.0352(7) Uani 1 1 d D U . . .
C9 C 0.6997(13) 0.1440(5) 0.5356(6) 0.046(2) Uani 1 1 d D U . . .
N1 N 0.7565(11) 0.1672(4) 0.4822(5) 0.045(2) Uani 1 1 d D U . . .
C1 C 0.8726(16) 0.1423(7) 0.4450(8) 0.082(4) Uani 1 1 d D U . . .
C2 C 0.895(3) 0.1909(11) 0.3893(11) 0.056(6) Uani 0.615(8) 1 d D U P A 1
H2A H 0.972411 0.173850 0.364182 0.084 Uiso 0.615(8) 1 calc R U P A 1
H2B H 0.926879 0.234218 0.410282 0.084 Uiso 0.615(8) 1 calc R U P A 1
H2C H 0.802071 0.196514 0.357002 0.084 Uiso 0.615(8) 1 calc R U P A 1
C3 C 1.007(2) 0.1135(14) 0.4893(13) 0.085(8) Uani 0.615(8) 1 d D U P A 1
H3A H 1.077118 0.097529 0.459711 0.127 Uiso 0.615(8) 1 calc R U P A 1
H3B H 0.977438 0.076003 0.516315 0.127 Uiso 0.615(8) 1 calc R U P A 1
H3C H 1.055276 0.148028 0.520776 0.127 Uiso 0.615(8) 1 calc R U P A 1
C4 C 0.800(3) 0.0776(10) 0.4052(13) 0.082(7) Uani 0.615(8) 1 d D U P A 1
H4A H 0.874469 0.055105 0.382181 0.123 Uiso 0.615(8) 1 calc R U P A 1
H4B H 0.715282 0.090996 0.370443 0.123 Uiso 0.615(8) 1 calc R U P A 1
H4C H 0.766232 0.046844 0.438424 0.123 Uiso 0.615(8) 1 calc R U P A 1
C5 C 0.4753(14) 0.1825(5) 0.5899(6) 0.047(3) Uani 1 1 d D U . . .
C6 C 0.3763(18) 0.2442(5) 0.5727(8) 0.067(4) Uani 1 1 d D U . . .
H6A H 0.307837 0.248150 0.606343 0.100 Uiso 1 1 calc R U . . .
H6B H 0.319150 0.239650 0.526001 0.100 Uiso 1 1 calc R U . . .
H6C H 0.438677 0.284402 0.574892 0.100 Uiso 1 1 calc R U . . .
C7 C 0.551(2) 0.1880(11) 0.6646(7) 0.104(7) Uani 1 1 d D U . . .
H7A H 0.477130 0.200486 0.693775 0.156 Uiso 1 1 calc R U . . .
H7B H 0.628661 0.222264 0.668460 0.156 Uiso 1 1 calc R U . . .
H7C H 0.595266 0.144810 0.680045 0.156 Uiso 1 1 calc R U . . .
C8 C 0.3784(14) 0.1203(5) 0.5789(8) 0.055(4) Uani 1 1 d D U . . .
H8A H 0.295657 0.124628 0.604997 0.083 Uiso 1 1 calc R U . . .
H8B H 0.437996 0.080921 0.595174 0.083 Uiso 1 1 calc R U . . .
H8C H 0.339033 0.115370 0.529481 0.083 Uiso 1 1 calc R U . . .
C2A C 0.860(4) 0.1752(16) 0.3740(12) 0.050(8) Uani 0.385(8) 1 d D U P A 2
H2AA H 0.953152 0.168863 0.355797 0.074 Uiso 0.385(8) 1 calc R U P A 2
H2AB H 0.840961 0.223201 0.378241 0.074 Uiso 0.385(8) 1 calc R U P A 2
H2AC H 0.777848 0.154810 0.342279 0.074 Uiso 0.385(8) 1 calc R U P A 2
C3A C 0.918(5) 0.0713(12) 0.450(2) 0.108(13) Uani 0.385(8) 1 d D U P A 2
H3AA H 1.000578 0.064464 0.423701 0.162 Uiso 0.385(8) 1 calc R U P A 2
H3AB H 0.834141 0.042998 0.430231 0.162 Uiso 0.385(8) 1 calc R U P A 2
H3AC H 0.951235 0.059353 0.498419 0.162 Uiso 0.385(8) 1 calc R U P A 2
C4A C 1.012(3) 0.1818(19) 0.4852(18) 0.091(10) Uani 0.385(8) 1 d D U P A 2
H4AA H 1.101323 0.153648 0.488356 0.137 Uiso 0.385(8) 1 calc R U P A 2
H4AB H 0.994465 0.193011 0.531924 0.137 Uiso 0.385(8) 1 calc R U P A 2
H4AC H 1.027238 0.223005 0.460040 0.137 Uiso 0.385(8) 1 calc R U P A 2
N2 N 0.5852(12) 0.1828(4) 0.5423(5) 0.041(2) Uani 1 1 d D U . . .
C10 C 0.7576(19) 0.0864(6) 0.5814(7) 0.057(4) Uani 1 1 d . U . . .
C11 C 0.866(2) 0.0963(7) 0.6369(8) 0.069(5) Uani 1 1 d . U . . .
H11 H 0.907811 0.139607 0.646080 0.083 Uiso 1 1 calc R U . . .
C12 C 0.917(2) 0.0431(8) 0.6801(8) 0.087(6) Uani 1 1 d . U . . .
H12 H 0.996776 0.049226 0.717179 0.104 Uiso 1 1 calc R U . . .
C13 C 0.850(3) -0.0183(7) 0.6689(9) 0.097(6) Uani 1 1 d . U . . .
H13 H 0.882981 -0.054516 0.698892 0.117 Uiso 1 1 calc R U . . .
C14 C 0.733(3) -0.0280(6) 0.6133(9) 0.084(6) Uani 1 1 d . U . . .
H14 H 0.685235 -0.070150 0.606185 0.101 Uiso 1 1 calc R U . . .
C15 C 0.691(2) 0.0239(6) 0.5698(8) 0.068(4) Uani 1 1 d . U . . .
H15 H 0.614069 0.017543 0.531177 0.082 Uiso 1 1 calc R U . . .
C16 C 0.6973(13) 0.3110(5) 0.4978(6) 0.036(2) Uani 1 1 d . U . . .
C17 C 0.7991(16) 0.3066(6) 0.5592(8) 0.052(4) Uani 1 1 d . U . . .
H17 H 0.819913 0.264072 0.580217 0.063 Uiso 1 1 calc R U . . .
C18 C 0.8723(15) 0.3639(6) 0.5912(7) 0.048(3) Uani 1 1 d . U . . .
H18 H 0.938824 0.359703 0.633680 0.057 Uiso 1 1 calc R U . . .
C19 C 0.8468(13) 0.4246(6) 0.5608(6) 0.039(2) Uani 1 1 d . U . . .
H19 H 0.895279 0.463328 0.581791 0.047 Uiso 1 1 calc R U . . .
C20 C 0.7487(12) 0.4298(5) 0.4983(6) 0.033(2) Uani 1 1 d . U . . .
H20 H 0.731048 0.472430 0.477093 0.039 Uiso 1 1 calc R U . . .
C21 C 0.6766(11) 0.3743(5) 0.4665(5) 0.029(2) Uani 1 1 d . U . . .
C22 C 0.5801(13) 0.4723(5) 0.3591(6) 0.035(2) Uani 1 1 d . U . . .
C23 C 0.7087(15) 0.4888(6) 0.3327(7) 0.043(3) Uani 1 1 d . U . . .
H23 H 0.781228 0.455462 0.328784 0.052 Uiso 1 1 calc R U . . .
C24 C 0.7306(18) 0.5542(6) 0.3122(7) 0.055(3) Uani 1 1 d . U . . .
H24 H 0.817933 0.566133 0.294348 0.065 Uiso 1 1 calc R U . . .
C25 C 0.6202(18) 0.6024(6) 0.3185(7) 0.054(3) Uani 1 1 d . U . . .
H25 H 0.635195 0.647600 0.306286 0.064 Uiso 1 1 calc R U . . .
C26 C 0.4953(18) 0.5854(5) 0.3414(6) 0.047(3) Uani 1 1 d . U . . .
H26 H 0.419816 0.618123 0.341849 0.056 Uiso 1 1 calc R U . . .
C27 C 0.4723(15) 0.5201(5) 0.3649(6) 0.040(2) Uani 1 1 d . U . . .
H27 H 0.385868 0.509144 0.384021 0.048 Uiso 1 1 calc R U . . .
C28 C 0.3662(12) 0.3810(4) 0.4026(5) 0.0279(19) Uani 1 1 d . U . . .
C29 C 0.3347(12) 0.3932(5) 0.4682(6) 0.031(2) Uani 1 1 d . U . . .
H29 H 0.412589 0.405574 0.504449 0.038 Uiso 1 1 calc R U . . .
C30 C 0.1915(13) 0.3878(5) 0.4815(6) 0.036(2) Uani 1 1 d . U . . .
H30 H 0.170844 0.395939 0.526861 0.044 Uiso 1 1 calc R U . . .
C31 C 0.0774(13) 0.3702(5) 0.4287(7) 0.038(2) Uani 1 1 d . U . . .
H31 H -0.021671 0.366628 0.437768 0.046 Uiso 1 1 calc R U . . .
C32 C 0.1074(14) 0.3582(7) 0.3636(7) 0.049(3) Uani 1 1 d . U . . .
H32 H 0.029225 0.345826 0.327531 0.058 Uiso 1 1 calc R U . . .
C33 C 0.2506(13) 0.3639(6) 0.3500(6) 0.038(2) Uani 1 1 d . U . . .
H33 H 0.270497 0.356193 0.304441 0.046 Uiso 1 1 calc R U . . .
C34 C 0.458(4) 0.0665(16) 0.2756(18) 0.046(8) Uani 0.385(8) 1 d . U P A 2
H34A H 0.361452 0.080895 0.287627 0.055 Uiso 0.385(8) 1 calc R U P A 2
H34B H 0.496332 0.103401 0.249578 0.055 Uiso 0.385(8) 1 calc R U P A 2
Cl3 Cl 0.5831(12) 0.0519(5) 0.3517(6) 0.063(3) Uani 0.385(8) 1 d . U P A 2
Cl4 Cl 0.4311(10) -0.0038(4) 0.2234(5) 0.050(2) Uani 0.385(8) 1 d . U P A 2


_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
Au1 P1 2.228(3) . ?
Au1 Cl1 2.287(3) . ?
Au1 Au2 2.9987(7) . ?
Au2 Si1 2.238(3) . ?
Au2 Cl2 2.325(4) . ?
P1 C28 1.809(11) . ?
P1 C22 1.821(10) . ?
P1 C21 1.831(11) . ?
Si1 N2 1.812(9) . ?
Si1 N1 1.815(9) . ?
Si1 C16 1.895(11) . ?
Si1 C9 2.257(12) . ?
C9 N2 1.323(13) . ?
C9 N1 1.324(13) . ?
C9 C10 1.500(16) . ?
N1 C1 1.464(16) . ?
C1 C3A 1.477(16) . ?
C1 C3 1.497(15) . ?
C1 C2 1.500(15) . ?
C1 C2A 1.524(16) . ?
C1 C4A 1.593(16) . ?
C1 C4 1.596(15) . ?
C5 N2 1.473(15) . ?
C5 C7 1.516(13) . ?
C5 C8 1.519(12) . ?
C5 C6 1.532(13) . ?
C10 C11 1.359(19) . ?
C10 C15 1.39(2) . ?
C11 C12 1.389(19) . ?
C12 C13 1.37(2) . ?
C13 C14 1.41(2) . ?
C14 C15 1.356(18) . ?
C16 C17 1.395(16) . ?
C16 C21 1.404(14) . ?
C17 C18 1.417(16) . ?
C18 C19 1.354(16) . ?
C19 C20 1.395(16) . ?
C20 C21 1.385(14) . ?
C22 C27 1.387(17) . ?
C22 C23 1.394(18) . ?
C23 C24 1.390(17) . ?
C24 C25 1.41(2) . ?
C25 C26 1.33(2) . ?
C26 C27 1.412(15) . ?
C28 C29 1.381(15) . ?
C28 C33 1.390(15) . ?
C29 C30 1.375(16) . ?
C30 C31 1.386(16) . ?
C31 C32 1.367(18) . ?
C32 C33 1.377(18) . ?
C34 Cl4 1.73(3) . ?
C34 Cl3 1.75(4) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P1 Au1 Cl1 175.42(12) . . ?
P1 Au1 Au2 85.25(7) . . ?
Cl1 Au1 Au2 98.34(10) . . ?
Si1 Au2 Cl2 173.86(13) . . ?
Si1 Au2 Au1 87.18(8) . . ?
Cl2 Au2 Au1 98.85(13) . . ?
C28 P1 C22 105.8(5) . . ?
C28 P1 C21 105.8(5) . . ?
C22 P1 C21 105.2(5) . . ?
C28 P1 Au1 113.2(3) . . ?
C22 P1 Au1 111.0(4) . . ?
C21 P1 Au1 115.0(3) . . ?
N2 Si1 N1 71.7(5) . . ?
N2 Si1 C16 105.0(5) . . ?
N1 Si1 C16 105.3(5) . . ?
N2 Si1 Au2 116.2(4) . . ?
N1 Si1 Au2 118.9(4) . . ?
C16 Si1 Au2 126.3(4) . . ?
N2 Si1 C9 35.9(4) . . ?
N1 Si1 C9 35.9(4) . . ?
C16 Si1 C9 110.5(5) . . ?
Au2 Si1 C9 123.2(3) . . ?
N2 C9 N1 106.8(10) . . ?
N2 C9 C10 126.7(11) . . ?
N1 C9 C10 126.5(11) . . ?
N2 C9 Si1 53.4(6) . . ?
N1 C9 Si1 53.5(6) . . ?
C10 C9 Si1 178.5(10) . . ?
C9 N1 C1 132.9(9) . . ?
C9 N1 Si1 90.6(7) . . ?
C1 N1 Si1 135.4(8) . . ?
N1 C1 C3A 121.0(18) . . ?
N1 C1 C3 115.7(14) . . ?
N1 C1 C2 109.7(14) . . ?
C3 C1 C2 118.2(16) . . ?
N1 C1 C2A 110.6(16) . . ?
C3A C1 C2A 116.8(19) . . ?
N1 C1 C4A 99.8(14) . . ?
C3A C1 C4A 104.4(17) . . ?
C2A C1 C4A 99.9(16) . . ?
N1 C1 C4 104.1(13) . . ?
C3 C1 C4 101.9(14) . . ?
C2 C1 C4 105.4(14) . . ?
N2 C5 C7 111.1(11) . . ?
N2 C5 C8 110.6(10) . . ?
C7 C5 C8 110.9(11) . . ?
N2 C5 C6 107.2(9) . . ?
C7 C5 C6 108.2(12) . . ?
C8 C5 C6 108.7(10) . . ?
C9 N2 C5 133.5(9) . . ?
C9 N2 Si1 90.7(7) . . ?
C5 N2 Si1 135.5(7) . . ?
C11 C10 C15 120.2(12) . . ?
C11 C10 C9 120.3(12) . . ?
C15 C10 C9 119.3(12) . . ?
C10 C11 C12 120.0(14) . . ?
C13 C12 C11 119.6(15) . . ?
C12 C13 C14 120.5(14) . . ?
C15 C14 C13 118.9(15) . . ?
C14 C15 C10 120.7(15) . . ?
C17 C16 C21 117.0(10) . . ?
C17 C16 Si1 115.1(8) . . ?
C21 C16 Si1 127.8(8) . . ?
C16 C17 C18 121.9(10) . . ?
C19 C18 C17 119.7(11) . . ?
C18 C19 C20 119.3(11) . . ?
C21 C20 C19 121.6(10) . . ?
C20 C21 C16 120.3(10) . . ?
C20 C21 P1 118.4(8) . . ?
C16 C21 P1 121.3(8) . . ?
C27 C22 C23 121.1(10) . . ?
C27 C22 P1 120.5(9) . . ?
C23 C22 P1 118.4(9) . . ?
C24 C23 C22 119.8(13) . . ?
C23 C24 C25 118.6(14) . . ?
C26 C25 C24 120.9(11) . . ?
C25 C26 C27 121.7(13) . . ?
C22 C27 C26 117.7(13) . . ?
C29 C28 C33 119.0(10) . . ?
C29 C28 P1 121.9(8) . . ?
C33 C28 P1 119.1(8) . . ?
C30 C29 C28 120.5(11) . . ?
C29 C30 C31 119.9(11) . . ?
C32 C31 C30 120.0(11) . . ?
C31 C32 C33 120.3(12) . . ?
C32 C33 C28 120.3(11) . . ?
Cl4 C34 Cl3 112.2(18) . . ?

_refine_diff_density_max         3.039
_refine_diff_density_min         -2.134
_refine_diff_density_rms         0.235



####################################################################### 
# 
# 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_sad_a_SbF4
_database_code_depnum_ccdc_archive 'CCDC 2125570'
loop_
_audit_author_name
_audit_author_address
'Regine Herbst-Irmer'
;University of Goettingen
Germany
;
_audit_update_record             
;
2021-12-01 deposited with the CCDC.	2022-10-21 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         
'C66 H74 Ag F4 N4 P2 Si2, 2(C7 H8), 0.923(Al Cl4), 0.077(F4 Sb)'
_chemical_formula_sum            
'C80 H90 Ag Al0.92 Cl3.69 F4.31 N4 P2 Sb0.08 Si2'
_chemical_formula_weight         1580.56

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'
Al Al 0.0645 0.0514 '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'
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'
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'
Sb Sb -0.5866 1.5461 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   13.773(2)
_cell_length_b                   13.572(2)
_cell_length_c                   41.898(6)
_cell_angle_alpha                90
_cell_angle_beta                 91.83(3)
_cell_angle_gamma                90
_cell_volume                     7828(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9852
_cell_measurement_theta_min      2.1735
_cell_measurement_theta_max      23.394

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.341
_exptl_crystal_F_000             3282
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.188
_exptl_crystal_size_mid          0.164
_exptl_crystal_size_min          0.153
_exptl_absorpt_coefficient_mu    0.547
_shelx_estimated_absorpt_T_min   0.904
_shelx_estimated_absorpt_T_max   0.921
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5447
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_process_details   
;
 SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D.,
 J. Appl. Cryst. 48 (2015) 3-10
;

_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'INCOATEC Microsource'
_diffrn_measurement_device_type  'Bruker Smart APEX II Quazar'
_diffrn_measurement_method       'omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            146476
_diffrn_reflns_av_unetI/netI     0.0557
_diffrn_reflns_av_R_equivalents  0.1034
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -52
_diffrn_reflns_limit_l_max       52
_diffrn_reflns_theta_min         1.479
_diffrn_reflns_theta_max         26.423
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             16046
_reflns_number_gt                11952
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;

_computing_data_collection       'APEX2 v2012.2'
_computing_cell_refinement       'SAINT V8.38A'
_computing_data_reduction        'SAINT V8.38A'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'XP Version 5.1'
_computing_publication_material  'XP Version 5.1'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0620P)²+7.3945P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         16046
_refine_ls_number_parameters     1176
_refine_ls_number_restraints     2110
_refine_ls_R_factor_all          0.0736
_refine_ls_R_factor_gt           0.0478
_refine_ls_wR_factor_ref         0.1259
_refine_ls_wR_factor_gt          0.1115
_refine_ls_goodness_of_fit_ref   1.016
_refine_ls_restrained_S_all      1.065
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.21479(2) 0.09042(2) 0.63080(2) 0.02196(7) Uani 1 1 d . . . . .
Al1 Al 0.7620(6) 0.6208(5) 0.62187(15) 0.0325(12) Uani 0.529(3) 1 d D U P A 1
Cl1 Cl 0.76168(19) 0.7378(3) 0.58775(6) 0.0449(7) Uani 0.529(3) 1 d D U P A 1
Cl2 Cl 0.76882(17) 0.4796(2) 0.59946(8) 0.0666(8) Uani 0.529(3) 1 d D U P A 1
Cl3 Cl 0.8899(6) 0.6328(6) 0.6518(2) 0.0368(11) Uani 0.529(3) 1 d D U P A 1
Cl4 Cl 0.6317(5) 0.6337(6) 0.64766(16) 0.0363(11) Uani 0.529(3) 1 d D U P A 1
Sb1A Sb 0.7677(10) 0.6374(11) 0.6122(3) 0.041(2) Uani 0.0771(14) 1 d D U P B 2
F1A F 0.785(3) 0.783(2) 0.6087(9) 0.049(5) Uani 0.0771(14) 1 d D U P B 2
F2A F 0.697(3) 0.565(3) 0.5823(10) 0.055(5) Uani 0.0771(14) 1 d D U P B 2
F3A F 0.852(2) 0.674(3) 0.6456(7) 0.048(4) Uani 0.0771(14) 1 d D U P B 2
F4A F 0.663(3) 0.651(4) 0.6438(10) 0.043(5) Uani 0.0771(14) 1 d D U P B 2
Al1A Al 0.7465(7) 0.6455(7) 0.6174(2) 0.0320(16) Uani 0.394(3) 1 d D U P C 3
Cl1A Cl 0.7625(3) 0.7854(3) 0.59585(10) 0.0390(8) Uani 0.394(3) 1 d D U P C 3
Cl2A Cl 0.7324(4) 0.5307(4) 0.58287(11) 0.0839(15) Uani 0.394(3) 1 d D U P C 3
Cl3A Cl 0.8724(8) 0.6142(8) 0.6474(3) 0.0407(16) Uani 0.394(3) 1 d D U P C 3
Cl4A Cl 0.6206(8) 0.6533(9) 0.6448(3) 0.057(3) Uani 0.394(3) 1 d D U P C 3
P1 P 0.13626(6) 0.11551(6) 0.68141(2) 0.02175(18) Uani 1 1 d . . . . .
Si1 Si 0.19007(6) 0.35519(7) 0.65560(2) 0.02313(19) Uani 1 1 d . . . . .
F1 F 0.28775(13) 0.30081(14) 0.66797(5) 0.0322(4) Uani 1 1 d . . . . .
N1 N 0.18980(19) 0.46890(19) 0.63342(6) 0.0247(6) Uani 1 1 d D . . . .
Si2 Si 0.47861(6) 0.07355(7) 0.60862(2) 0.02390(19) Uani 1 1 d . . . . .
F2 F 0.17982(13) 0.28308(13) 0.62373(4) 0.0271(4) Uani 1 1 d . . . . .
N2 N 0.2201(2) 0.4684(2) 0.68387(6) 0.0276(6) Uani 1 1 d D . . . .
C2 C 0.2190(2) 0.5259(2) 0.65882(8) 0.0254(7) Uani 1 1 d . . . . .
P3 P 0.24308(5) 0.01553(6) 0.57926(2) 0.02024(17) Uani 1 1 d . . . . .
F3 F 0.41699(15) 0.17081(15) 0.59978(5) 0.0398(5) Uani 1 1 d . . . . .
C3 C 0.2498(2) 0.6306(2) 0.65748(7) 0.0259(7) Uani 1 1 d . . . . .
F4 F 0.41220(12) 0.05258(14) 0.64010(4) 0.0304(4) Uani 1 1 d . . . . .
N4 N 0.59539(18) 0.06450(19) 0.63017(6) 0.0222(6) Uani 1 1 d D . . . .
C4 C 0.3426(2) 0.6517(3) 0.64644(8) 0.0305(8) Uani 1 1 d . . . . .
H4 H 0.383556 0.599981 0.639613 0.037 Uiso 1 1 calc R U . . .
C5 C 0.3739(3) 0.7483(3) 0.64561(9) 0.0359(8) Uani 1 1 d . . . . .
H5 H 0.436753 0.762957 0.638163 0.043 Uiso 1 1 calc R U . . .
C6 C 0.3146(3) 0.8243(3) 0.65551(8) 0.0355(8) Uani 1 1 d . . . . .
H6 H 0.336823 0.890487 0.654989 0.043 Uiso 1 1 calc R U . . .
C7 C 0.2229(3) 0.8030(3) 0.66616(8) 0.0320(8) Uani 1 1 d . . . . .
H7 H 0.181961 0.854838 0.672887 0.038 Uiso 1 1 calc R U . . .
C8 C 0.1905(2) 0.7066(3) 0.66707(8) 0.0292(7) Uani 1 1 d . . . . .
H8 H 0.127303 0.692506 0.674300 0.035 Uiso 1 1 calc R U . . .
C9 C 0.1623(3) 0.4976(2) 0.59994(8) 0.0350(8) Uani 1 1 d D . . . .
C10 C 0.1379(4) 0.6069(3) 0.59653(10) 0.0559(13) Uani 1 1 d D . . . .
H10A H 0.110535 0.619512 0.575039 0.084 Uiso 1 1 calc R U . . .
H10B H 0.197145 0.645989 0.599940 0.084 Uiso 1 1 calc R U . . .
H10C H 0.090428 0.625273 0.612402 0.084 Uiso 1 1 calc R U . . .
C11 C 0.2470(4) 0.4721(3) 0.57901(10) 0.0595(13) Uani 1 1 d D . . . .
H11A H 0.228488 0.484183 0.556572 0.089 Uiso 1 1 calc R U . . .
H11B H 0.264015 0.402448 0.581879 0.089 Uiso 1 1 calc R U . . .
H11C H 0.303136 0.513147 0.585093 0.089 Uiso 1 1 calc R U . . .
C12 C 0.0719(3) 0.4397(3) 0.58931(10) 0.0494(11) Uani 1 1 d D . . . .
H12A H 0.055732 0.454526 0.566870 0.074 Uiso 1 1 calc R U . . .
H12B H 0.017456 0.458459 0.602512 0.074 Uiso 1 1 calc R U . . .
H12C H 0.084626 0.369024 0.591703 0.074 Uiso 1 1 calc R U . . .
C13 C 0.2515(3) 0.4903(3) 0.71740(8) 0.0389(9) Uani 1 1 d D . . . .
C14 C 0.3547(3) 0.5319(4) 0.71933(10) 0.0618(14) Uani 1 1 d D . . . .
H14A H 0.398183 0.488464 0.707763 0.093 Uiso 1 1 calc R U . . .
H14B H 0.376840 0.536248 0.741747 0.093 Uiso 1 1 calc R U . . .
H14C H 0.355163 0.597755 0.709719 0.093 Uiso 1 1 calc R U . . .
C15 C 0.1795(4) 0.5601(3) 0.73243(10) 0.0609(14) Uani 1 1 d D . . . .
H15A H 0.185858 0.625870 0.723086 0.091 Uiso 1 1 calc R U . . .
H15B H 0.192904 0.563584 0.755509 0.091 Uiso 1 1 calc R U . . .
H15C H 0.113233 0.535705 0.728364 0.091 Uiso 1 1 calc R U . . .
C16 C 0.2490(3) 0.3921(3) 0.73517(8) 0.0430(10) Uani 1 1 d D . . . .
H16A H 0.183393 0.364202 0.733307 0.065 Uiso 1 1 calc R U . . .
H16B H 0.266606 0.402728 0.757754 0.065 Uiso 1 1 calc R U . . .
H16C H 0.295268 0.346352 0.725857 0.065 Uiso 1 1 calc R U . . .
C17 C 0.6461(2) 0.1025(2) 0.60584(7) 0.0236(7) Uani 1 1 d . . . . .
C18 C 0.7526(2) 0.1232(2) 0.60505(7) 0.0240(7) Uani 1 1 d . . . . .
C19 C 0.8154(3) 0.0564(3) 0.59119(8) 0.0339(8) Uani 1 1 d . . . . .
H19 H 0.792125 -0.005910 0.583974 0.041 Uiso 1 1 calc R U . . .
C20 C 0.9126(3) 0.0817(3) 0.58800(9) 0.0379(9) Uani 1 1 d . . . . .
H20 H 0.955663 0.036560 0.578464 0.046 Uiso 1 1 calc R U . . .
C21 C 0.9465(2) 0.1714(3) 0.59854(9) 0.0369(9) Uani 1 1 d . . . . .
H21 H 1.012815 0.188252 0.596043 0.044 Uiso 1 1 calc R U . . .
C22 C 0.8850(2) 0.2372(3) 0.61273(8) 0.0344(8) Uani 1 1 d . . . . .
H22 H 0.908845 0.298934 0.620210 0.041 Uiso 1 1 calc R U . . .
C23 C 0.7876(2) 0.2126(3) 0.61606(8) 0.0281(7) Uani 1 1 d . . . . .
H23 H 0.745162 0.257671 0.625947 0.034 Uiso 1 1 calc R U . . .
N3 N 0.5841(2) 0.1188(2) 0.58232(6) 0.0332(7) Uani 1 1 d D . . . .
C24 C 0.5945(3) 0.1755(3) 0.55222(8) 0.0371(8) Uani 1 1 d D U . . .
C25 C 0.6947(3) 0.1528(4) 0.53560(10) 0.0378(12) Uani 0.802(6) 1 d D U P D 1
H25A H 0.705145 0.081371 0.534915 0.057 Uiso 0.802(6) 1 calc R U P D 1
H25B H 0.748148 0.183881 0.547883 0.057 Uiso 0.802(6) 1 calc R U P D 1
H25C H 0.692416 0.179080 0.513813 0.057 Uiso 0.802(6) 1 calc R U P D 1
C26 C 0.5926(4) 0.2833(3) 0.55959(12) 0.0457(13) Uani 0.802(6) 1 d D U P D 1
H26A H 0.593577 0.320967 0.539644 0.069 Uiso 0.802(6) 1 calc R U P D 1
H26B H 0.649516 0.300570 0.573056 0.069 Uiso 0.802(6) 1 calc R U P D 1
H26C H 0.533309 0.299035 0.570891 0.069 Uiso 0.802(6) 1 calc R U P D 1
C27 C 0.5153(4) 0.1431(5) 0.52933(11) 0.0509(16) Uani 0.802(6) 1 d D U P D 1
H27A H 0.518382 0.181608 0.509609 0.076 Uiso 0.802(6) 1 calc R U P D 1
H27B H 0.452132 0.153449 0.538946 0.076 Uiso 0.802(6) 1 calc R U P D 1
H27C H 0.523361 0.073011 0.524453 0.076 Uiso 0.802(6) 1 calc R U P D 1
C25A C 0.5807(17) 0.0974(12) 0.5274(4) 0.050(5) Uani 0.198(6) 1 d D U P D 2
H25D H 0.527336 0.053821 0.533199 0.074 Uiso 0.198(6) 1 calc R U P D 2
H25E H 0.565081 0.128174 0.506668 0.074 Uiso 0.198(6) 1 calc R U P D 2
H25F H 0.640565 0.058850 0.525888 0.074 Uiso 0.198(6) 1 calc R U P D 2
C26A C 0.6683(11) 0.2521(12) 0.5506(5) 0.045(5) Uani 0.198(6) 1 d D U P D 2
H26D H 0.665700 0.282145 0.529330 0.053 Uiso 0.198(6) 1 calc R U P D 2
H26E H 0.656219 0.302639 0.566715 0.053 Uiso 0.198(6) 1 calc R U P D 2
H26F H 0.732675 0.223101 0.554708 0.053 Uiso 0.198(6) 1 calc R U P D 2
C27A C 0.4921(9) 0.2372(12) 0.5485(4) 0.040(4) Uani 0.198(6) 1 d D U P D 2
H27D H 0.437267 0.191420 0.549318 0.061 Uiso 0.198(6) 1 calc R U P D 2
H27E H 0.488286 0.284932 0.565989 0.061 Uiso 0.198(6) 1 calc R U P D 2
H27F H 0.489823 0.272165 0.528037 0.061 Uiso 0.198(6) 1 calc R U P D 2
C28 C 0.6335(2) 0.0214(2) 0.66084(7) 0.0275(7) Uani 1 1 d D U . . .
C29 C 0.7104(5) 0.0826(5) 0.67749(15) 0.0356(18) Uani 0.521(6) 1 d D U P E 1
H29A H 0.766997 0.087583 0.664008 0.053 Uiso 0.521(6) 1 calc R U P E 1
H29B H 0.729583 0.051478 0.697836 0.053 Uiso 0.521(6) 1 calc R U P E 1
H29C H 0.684729 0.148628 0.681510 0.053 Uiso 0.521(6) 1 calc R U P E 1
C30 C 0.6843(5) -0.0807(5) 0.65093(16) 0.0384(18) Uani 0.521(6) 1 d D U P E 1
H30A H 0.634605 -0.126663 0.642743 0.058 Uiso 0.521(6) 1 calc R U P E 1
H30B H 0.717867 -0.109437 0.669683 0.058 Uiso 0.521(6) 1 calc R U P E 1
H30C H 0.731277 -0.067979 0.634339 0.058 Uiso 0.521(6) 1 calc R U P E 1
C31 C 0.5551(5) -0.0072(7) 0.68289(18) 0.040(2) Uani 0.521(6) 1 d D U P E 1
H31A H 0.511957 -0.055369 0.672321 0.060 Uiso 0.521(6) 1 calc R U P E 1
H31B H 0.517674 0.051383 0.688494 0.060 Uiso 0.521(6) 1 calc R U P E 1
H31C H 0.584311 -0.036311 0.702333 0.060 Uiso 0.521(6) 1 calc R U P E 1
C29A C 0.6133(6) 0.1079(6) 0.68582(16) 0.038(2) Uani 0.479(6) 1 d D U P E 2
H29D H 0.648339 0.167359 0.679635 0.056 Uiso 0.479(6) 1 calc R U P E 2
H29E H 0.635687 0.087296 0.707234 0.056 Uiso 0.479(6) 1 calc R U P E 2
H29F H 0.543469 0.121786 0.685868 0.056 Uiso 0.479(6) 1 calc R U P E 2
C30A C 0.7391(5) 0.0003(7) 0.66295(17) 0.039(2) Uani 0.479(6) 1 d D U P E 2
H30D H 0.755962 -0.045262 0.645836 0.059 Uiso 0.479(6) 1 calc R U P E 2
H30E H 0.755677 -0.029676 0.683694 0.059 Uiso 0.479(6) 1 calc R U P E 2
H30F H 0.775499 0.061805 0.660699 0.059 Uiso 0.479(6) 1 calc R U P E 2
C31A C 0.5736(6) -0.0656(6) 0.6700(2) 0.041(2) Uani 0.479(6) 1 d D U P E 2
H31D H 0.504801 -0.047178 0.669540 0.061 Uiso 0.479(6) 1 calc R U P E 2
H31E H 0.593253 -0.086964 0.691640 0.061 Uiso 0.479(6) 1 calc R U P E 2
H31F H 0.583686 -0.119580 0.654969 0.061 Uiso 0.479(6) 1 calc R U P E 2
C32 C 0.0756(2) 0.3157(2) 0.67524(7) 0.0219(6) Uani 1 1 d . . . . .
C33 C 0.0059(2) 0.3894(2) 0.67872(8) 0.0272(7) Uani 1 1 d . . . . .
H33 H 0.021357 0.454993 0.672799 0.033 Uiso 1 1 calc R U . . .
C34 C -0.0854(2) 0.3700(3) 0.69057(8) 0.0305(8) Uani 1 1 d . . . . .
H34 H -0.131644 0.421540 0.692252 0.037 Uiso 1 1 calc R U . . .
C35 C -0.1082(2) 0.2757(3) 0.69983(8) 0.0296(7) Uani 1 1 d . . . . .
H35 H -0.170261 0.262076 0.708029 0.035 Uiso 1 1 calc R U . . .
C36 C -0.0410(2) 0.2009(2) 0.69724(7) 0.0252(7) Uani 1 1 d . . . . .
H36 H -0.057088 0.136220 0.703970 0.030 Uiso 1 1 calc R U . . .
C37 C 0.0508(2) 0.2190(2) 0.68478(7) 0.0225(6) Uani 1 1 d . . . . .
C38 C 0.0630(2) 0.0068(2) 0.68944(7) 0.0237(7) Uani 1 1 d . . . . .
C39 C 0.0048(2) -0.0300(3) 0.66434(8) 0.0281(7) Uani 1 1 d . . . . .
H39 H 0.002398 0.003526 0.644425 0.034 Uiso 1 1 calc R U . . .
C40 C -0.0497(2) -0.1149(3) 0.66805(8) 0.0306(8) Uani 1 1 d . . . . .
H40 H -0.088984 -0.139401 0.650770 0.037 Uiso 1 1 calc R U . . .
C41 C -0.0466(3) -0.1638(3) 0.69722(9) 0.0359(8) Uani 1 1 d . . . . .
H41 H -0.083616 -0.222165 0.699933 0.043 Uiso 1 1 calc R U . . .
C42 C 0.0103(3) -0.1275(3) 0.72215(8) 0.0361(8) Uani 1 1 d . . . . .
H42 H 0.012100 -0.160965 0.742076 0.043 Uiso 1 1 calc R U . . .
C43 C 0.0647(2) -0.0429(3) 0.71857(8) 0.0296(7) Uani 1 1 d . . . . .
H43 H 0.103439 -0.018551 0.736006 0.035 Uiso 1 1 calc R U . . .
C44 C 0.2188(2) 0.1250(2) 0.71602(7) 0.0246(7) Uani 1 1 d . . . . .
C45 C 0.1877(2) 0.1544(2) 0.74599(8) 0.0275(7) Uani 1 1 d . . . . .
H45 H 0.121902 0.172997 0.748593 0.033 Uiso 1 1 calc R U . . .
C46 C 0.2526(2) 0.1566(3) 0.77187(8) 0.0325(8) Uani 1 1 d . . . . .
H46 H 0.231436 0.177197 0.792168 0.039 Uiso 1 1 calc R U . . .
C47 C 0.3487(3) 0.1287(3) 0.76831(9) 0.0392(9) Uani 1 1 d . . . . .
H47 H 0.393009 0.129729 0.786144 0.047 Uiso 1 1 calc R U . . .
C48 C 0.3795(3) 0.0995(3) 0.73873(9) 0.0442(10) Uani 1 1 d . . . . .
H48 H 0.445142 0.080351 0.736308 0.053 Uiso 1 1 calc R U . . .
C49 C 0.3155(2) 0.0980(3) 0.71261(8) 0.0338(8) Uani 1 1 d . . . . .
H49 H 0.337622 0.078575 0.692300 0.041 Uiso 1 1 calc R U . . .
C50 C 0.4421(2) -0.0399(2) 0.58534(7) 0.0225(7) Uani 1 1 d . . . . .
C51 C 0.5172(2) -0.1082(2) 0.57976(8) 0.0264(7) Uani 1 1 d . . . . .
H51 H 0.581989 -0.091085 0.585957 0.032 Uiso 1 1 calc R U . . .
C52 C 0.5001(2) -0.1986(3) 0.56569(8) 0.0296(7) Uani 1 1 d . . . . .
H52 H 0.552445 -0.242670 0.562499 0.035 Uiso 1 1 calc R U . . .
C53 C 0.4063(2) -0.2252(3) 0.55620(8) 0.0278(7) Uani 1 1 d . . . . .
H53 H 0.393883 -0.287671 0.546731 0.033 Uiso 1 1 calc R U . . .
C54 C 0.3310(2) -0.1595(2) 0.56070(7) 0.0244(7) Uani 1 1 d . . . . .
H54 H 0.266885 -0.177083 0.553885 0.029 Uiso 1 1 calc R U . . .
C55 C 0.3475(2) -0.0680(2) 0.57503(7) 0.0220(6) Uani 1 1 d . . . . .
C56 C 0.1370(2) -0.0589(2) 0.56770(7) 0.0221(6) Uani 1 1 d . . . . .
C57 C 0.0963(2) -0.1180(2) 0.59091(8) 0.0244(7) Uani 1 1 d . . . . .
H57 H 0.124777 -0.119718 0.611845 0.029 Uiso 1 1 calc R U . . .
C58 C 0.0146(2) -0.1742(2) 0.58375(8) 0.0288(7) Uani 1 1 d . . . . .
H58 H -0.013167 -0.213775 0.599794 0.035 Uiso 1 1 calc R U . . .
C59 C -0.0268(2) -0.1727(3) 0.55309(8) 0.0312(8) Uani 1 1 d . . . . .
H59 H -0.082946 -0.211114 0.548149 0.037 Uiso 1 1 calc R U . . .
C60 C 0.0137(2) -0.1157(3) 0.52989(8) 0.0329(8) Uani 1 1 d . . . . .
H60 H -0.014604 -0.115040 0.508915 0.039 Uiso 1 1 calc R U . . .
C61 C 0.0958(2) -0.0589(2) 0.53686(8) 0.0274(7) Uani 1 1 d . . . . .
H61 H 0.123752 -0.020150 0.520647 0.033 Uiso 1 1 calc R U . . .
C62 C 0.2511(2) 0.1018(2) 0.54612(7) 0.0238(7) Uani 1 1 d . . . . .
C63 C 0.2134(2) 0.1954(2) 0.54944(8) 0.0277(7) Uani 1 1 d . . . . .
H63 H 0.188636 0.215375 0.569326 0.033 Uiso 1 1 calc R U . . .
C64 C 0.2115(3) 0.2605(3) 0.52377(8) 0.0340(8) Uani 1 1 d . . . . .
H64 H 0.183987 0.324216 0.525930 0.041 Uiso 1 1 calc R U . . .
C65 C 0.2498(3) 0.2319(3) 0.49508(8) 0.0339(8) Uani 1 1 d . . . . .
H65 H 0.249725 0.276666 0.477651 0.041 Uiso 1 1 calc R U . . .
C66 C 0.2881(3) 0.1390(3) 0.49165(8) 0.0336(8) Uani 1 1 d . . . . .
H66 H 0.313885 0.119673 0.471832 0.040 Uiso 1 1 calc R U . . .
C67 C 0.2892(2) 0.0735(2) 0.51702(8) 0.0274(7) Uani 1 1 d . . . . .
H67 H 0.315758 0.009395 0.514626 0.033 Uiso 1 1 calc R U . . .
C68 C 0.5270(6) 0.3587(8) 0.65282(18) 0.058(2) Uani 0.695(6) 1 d D U P F 1
H68A H 0.465097 0.323428 0.650543 0.088 Uiso 0.695(6) 1 calc R U P F 1
H68B H 0.517387 0.427912 0.646820 0.088 Uiso 0.695(6) 1 calc R U P F 1
H68C H 0.574488 0.328647 0.638874 0.088 Uiso 0.695(6) 1 calc R U P F 1
C69 C 0.5637(4) 0.3529(4) 0.68678(13) 0.0440(15) Uani 0.695(6) 1 d D U P F 1
C70 C 0.6491(7) 0.3957(12) 0.69711(18) 0.037(2) Uani 0.695(6) 1 d D U P F 1
H70 H 0.686061 0.432044 0.682378 0.044 Uiso 0.695(6) 1 calc R U P F 1
C71 C 0.6831(4) 0.3874(4) 0.72857(15) 0.0469(15) Uani 0.695(6) 1 d D U P F 1
H71 H 0.743549 0.416639 0.734701 0.056 Uiso 0.695(6) 1 calc R U P F 1
C72 C 0.6325(5) 0.3389(7) 0.75054(18) 0.0544(19) Uani 0.695(6) 1 d D U P F 1
H72 H 0.655869 0.334192 0.772073 0.065 Uiso 0.695(6) 1 calc R U P F 1
C73 C 0.5442(6) 0.2954(9) 0.74066(19) 0.074(3) Uani 0.695(6) 1 d D U P F 1
H73 H 0.506162 0.262701 0.755930 0.089 Uiso 0.695(6) 1 calc R U P F 1
C74 C 0.5119(7) 0.2992(8) 0.70973(17) 0.076(3) Uani 0.695(6) 1 d D U P F 1
H74 H 0.453919 0.265533 0.703410 0.092 Uiso 0.695(6) 1 calc R U P F 1
C68A C 0.579(2) 0.318(2) 0.7512(4) 0.089(8) Uani 0.305(6) 1 d D U P F 2
H68D H 0.517956 0.285435 0.756143 0.134 Uiso 0.305(6) 1 calc R U P F 2
H68E H 0.633695 0.274377 0.757179 0.134 Uiso 0.305(6) 1 calc R U P F 2
H68F H 0.585173 0.379533 0.763337 0.134 Uiso 0.305(6) 1 calc R U P F 2
C69A C 0.5808(10) 0.3397(11) 0.7163(3) 0.052(3) Uani 0.305(6) 1 d D U P F 2
C70A C 0.6590(18) 0.385(3) 0.7035(5) 0.050(5) Uani 0.305(6) 1 d D U P F 2
H70A H 0.712643 0.401948 0.717240 0.060 Uiso 0.305(6) 1 calc R U P F 2
C71A C 0.6633(9) 0.4071(10) 0.6719(4) 0.057(4) Uani 0.305(6) 1 d D U P F 2
H71A H 0.719908 0.437223 0.663949 0.069 Uiso 0.305(6) 1 calc R U P F 2
C72A C 0.5873(9) 0.3865(9) 0.6517(3) 0.048(3) Uani 0.305(6) 1 d D U P F 2
H72A H 0.586443 0.409361 0.630293 0.057 Uiso 0.305(6) 1 calc R U P F 2
C73A C 0.5120(16) 0.332(2) 0.6627(4) 0.076(6) Uani 0.305(6) 1 d D U P F 2
H73A H 0.462882 0.309374 0.648046 0.091 Uiso 0.305(6) 1 calc R U P F 2
C74A C 0.5058(12) 0.3097(19) 0.6947(3) 0.074(5) Uani 0.305(6) 1 d D U P F 2
H74A H 0.451494 0.274342 0.702101 0.089 Uiso 0.305(6) 1 calc R U P F 2
C75 C 0.5004(6) 0.5168(7) 0.57572(17) 0.0462(19) Uani 0.5 1 d D U P G -1
H75A H 0.477401 0.582473 0.581534 0.069 Uiso 0.5 1 calc R U P G -1
H75B H 0.565624 0.506133 0.585145 0.069 Uiso 0.5 1 calc R U P G -1
H75C H 0.456025 0.466819 0.583772 0.069 Uiso 0.5 1 calc R U P G -1
C76 C 0.5039(7) 0.5088(9) 0.5399(2) 0.035(2) Uani 0.5 1 d D U P G -1
C77 C 0.5810(9) 0.5460(13) 0.5239(2) 0.065(4) Uani 0.5 1 d D U P G -1
H77 H 0.631283 0.579265 0.535602 0.078 Uiso 0.5 1 calc R U P G -1
C78 C 0.5874(11) 0.5365(14) 0.4914(3) 0.087(5) Uani 0.5 1 d D U P G -1
H78 H 0.642760 0.561220 0.481088 0.104 Uiso 0.5 1 calc R U P G -1
C79 C 0.5147(10) 0.4917(11) 0.4738(2) 0.055(3) Uani 0.5 1 d D U P G -1
H79 H 0.517031 0.488992 0.451149 0.066 Uiso 0.5 1 calc R U P G -1
C80 C 0.4384(9) 0.4509(11) 0.4893(2) 0.051(3) Uani 0.5 1 d D U P G -1
H80 H 0.387965 0.418325 0.477417 0.061 Uiso 0.5 1 calc R U P G -1
C81 C 0.4349(8) 0.4570(10) 0.5216(2) 0.049(2) Uani 0.5 1 d D U P G -1
H81 H 0.383652 0.424854 0.532072 0.058 Uiso 0.5 1 calc R U P G -1
C100 C -0.1431(10) 0.4019(11) 0.5172(4) 0.102(5) Uani 0.5 1 d D U P H -1
H10D H -0.202506 0.437801 0.511000 0.153 Uiso 0.5 1 calc R U P H -1
H10E H -0.138851 0.394882 0.540447 0.153 Uiso 0.5 1 calc R U P H -1
H10F H -0.144518 0.336490 0.507256 0.153 Uiso 0.5 1 calc R U P H -1
C101 C -0.0570(8) 0.4574(9) 0.5062(3) 0.065(3) Uani 0.5 1 d D U P H -1
C102 C -0.0405(10) 0.5557(9) 0.5139(4) 0.067(3) Uani 0.5 1 d D U P H -1
H102 H -0.085403 0.590195 0.526469 0.081 Uiso 0.5 1 calc R U P H -1
C103 C 0.0397(9) 0.6028(9) 0.5034(3) 0.068(3) Uani 0.5 1 d D U P H -1
H103 H 0.049759 0.670189 0.508579 0.082 Uiso 0.5 1 calc R U P H -1
C104 C 0.1069(9) 0.5540(8) 0.4852(3) 0.065(3) Uani 0.5 1 d D U P H -1
H104 H 0.163458 0.586875 0.478374 0.078 Uiso 0.5 1 calc R U P H -1
C105 C 0.0904(8) 0.4593(8) 0.4775(3) 0.062(3) Uani 0.5 1 d D U P H -1
H105 H 0.135412 0.425619 0.464630 0.075 Uiso 0.5 1 calc R U P H -1
C106 C 0.0095(9) 0.4097(9) 0.4877(3) 0.059(3) Uani 0.5 1 d D U P H -1
H106 H -0.000284 0.342541 0.482036 0.070 Uiso 0.5 1 calc R U P H -1


_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
Ag1 P3 2.4291(8) . ?
Ag1 P1 2.4350(10) . ?
Al1 Cl4 2.131(8) . ?
Al1 Cl3 2.136(8) . ?
Al1 Cl1 2.137(6) . ?
Al1 Cl2 2.137(8) . ?
Sb1A F2A 1.84(3) . ?
Sb1A F3A 1.86(3) . ?
Sb1A F1A 1.99(3) . ?
Sb1A F4A 1.99(3) . ?
Al1A Cl4A 2.113(10) . ?
Al1A Cl1A 2.116(10) . ?
Al1A Cl2A 2.131(9) . ?
Al1A Cl3A 2.152(10) . ?
P1 C44 1.818(3) . ?
P1 C38 1.824(3) . ?
P1 C37 1.841(3) . ?
Si1 F1 1.606(2) . ?
Si1 F2 1.6577(19) . ?
Si1 N1 1.801(3) . ?
Si1 C32 1.880(3) . ?
Si1 N2 1.976(3) . ?
Si1 C2 2.354(3) . ?
N1 C2 1.366(4) . ?
N1 C9 1.493(4) . ?
Si2 F3 1.606(2) . ?
Si2 F4 1.654(2) . ?
Si2 N4 1.823(3) . ?
Si2 C50 1.883(3) . ?
Si2 N3 1.951(3) . ?
Si2 C17 2.346(3) . ?
N2 C2 1.308(4) . ?
N2 C13 1.486(4) . ?
C2 C3 1.484(5) . ?
P3 C62 1.822(3) . ?
P3 C56 1.830(3) . ?
P3 C55 1.844(3) . ?
C3 C8 1.383(5) . ?
C3 C4 1.403(5) . ?
N4 C17 1.355(4) . ?
N4 C28 1.492(4) . ?
C4 C5 1.382(5) . ?
C5 C6 1.387(5) . ?
C6 C7 1.384(5) . ?
C7 C8 1.383(5) . ?
C9 C11 1.523(5) . ?
C9 C12 1.526(5) . ?
C9 C10 1.526(5) . ?
C13 C15 1.522(6) . ?
C13 C16 1.528(5) . ?
C13 C14 1.529(5) . ?
C17 N3 1.302(4) . ?
C17 C18 1.495(4) . ?
C18 C23 1.380(5) . ?
C18 C19 1.393(5) . ?
C19 C20 1.393(5) . ?
C20 C21 1.372(5) . ?
C21 C22 1.379(5) . ?
C22 C23 1.393(5) . ?
N3 C24 1.488(4) . ?
C24 C26A 1.458(11) . ?
C24 C25A 1.494(11) . ?
C24 C27 1.495(5) . ?
C24 C26 1.497(6) . ?
C24 C25 1.596(5) . ?
C24 C27A 1.643(11) . ?
C28 C30A 1.483(7) . ?
C28 C31 1.494(6) . ?
C28 C31A 1.498(7) . ?
C28 C29 1.500(6) . ?
C28 C29A 1.603(7) . ?
C28 C30 1.613(7) . ?
C32 C33 1.398(4) . ?
C32 C37 1.417(4) . ?
C33 C34 1.391(5) . ?
C34 C35 1.377(5) . ?
C35 C36 1.380(5) . ?
C36 C37 1.405(4) . ?
C38 C43 1.394(4) . ?
C38 C39 1.395(4) . ?
C39 C40 1.386(5) . ?
C40 C41 1.391(5) . ?
C41 C42 1.377(5) . ?
C42 C43 1.382(5) . ?
C44 C49 1.394(4) . ?
C44 C45 1.398(4) . ?
C45 C46 1.384(5) . ?
C46 C47 1.388(5) . ?
C47 C48 1.380(5) . ?
C48 C49 1.383(5) . ?
C50 C55 1.413(4) . ?
C50 C51 1.413(4) . ?
C51 C52 1.378(5) . ?
C52 C53 1.386(5) . ?
C53 C54 1.385(4) . ?
C54 C55 1.395(4) . ?
C56 C57 1.392(4) . ?
C56 C61 1.394(4) . ?
C57 C58 1.384(4) . ?
C58 C59 1.389(5) . ?
C59 C60 1.375(5) . ?
C60 C61 1.392(5) . ?
C62 C63 1.381(5) . ?
C62 C67 1.397(5) . ?
C63 C64 1.392(5) . ?
C64 C65 1.384(5) . ?
C65 C66 1.376(5) . ?
C66 C67 1.385(5) . ?
C68 C69 1.497(8) . ?
C69 C70 1.370(8) . ?
C69 C74 1.418(8) . ?
C70 C71 1.389(8) . ?
C71 C72 1.344(8) . ?
C72 C73 1.403(9) . ?
C73 C74 1.358(9) . ?
C68A C69A 1.495(14) . ?
C69A C70A 1.365(12) . ?
C69A C74A 1.412(12) . ?
C70A C71A 1.361(12) . ?
C71A C72A 1.353(12) . ?
C72A C73A 1.364(12) . ?
C73A C74A 1.379(12) . ?
C75 C76 1.508(10) . ?
C76 C77 1.369(10) . ?
C76 C81 1.391(10) . ?
C77 C78 1.373(11) . ?
C78 C79 1.368(11) . ?
C79 C80 1.369(10) . ?
C80 C81 1.360(10) . ?
C100 C101 1.489(13) . ?
C101 C106 1.381(11) . ?
C101 C102 1.388(11) . ?
C102 C103 1.361(11) . ?
C103 C104 1.385(11) . ?
C104 C105 1.344(11) . ?
C105 C106 1.382(11) . ?

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
P3 Ag1 P1 157.06(3) . . ?
Cl4 Al1 Cl3 112.8(4) . . ?
Cl4 Al1 Cl1 107.1(4) . . ?
Cl3 Al1 Cl1 108.7(4) . . ?
Cl4 Al1 Cl2 110.2(4) . . ?
Cl3 Al1 Cl2 106.2(4) . . ?
Cl1 Al1 Cl2 111.8(3) . . ?
F2A Sb1A F3A 163(2) . . ?
F2A Sb1A F1A 123(2) . . ?
F3A Sb1A F1A 73.6(17) . . ?
F2A Sb1A F4A 97.3(19) . . ?
F3A Sb1A F4A 85.4(17) . . ?
F1A Sb1A F4A 93(2) . . ?
Cl4A Al1A Cl1A 106.6(5) . . ?
Cl4A Al1A Cl2A 110.2(6) . . ?
Cl1A Al1A Cl2A 112.0(5) . . ?
Cl4A Al1A Cl3A 110.6(6) . . ?
Cl1A Al1A Cl3A 109.5(6) . . ?
Cl2A Al1A Cl3A 107.9(5) . . ?
C44 P1 C38 104.20(15) . . ?
C44 P1 C37 105.66(14) . . ?
C38 P1 C37 104.11(14) . . ?
C44 P1 Ag1 114.88(11) . . ?
C38 P1 Ag1 108.13(11) . . ?
C37 P1 Ag1 118.46(10) . . ?
F1 Si1 F2 92.15(11) . . ?
F1 Si1 N1 123.25(12) . . ?
F2 Si1 N1 95.27(11) . . ?
F1 Si1 C32 115.68(12) . . ?
F2 Si1 C32 97.65(12) . . ?
N1 Si1 C32 118.83(14) . . ?
F1 Si1 N2 90.38(12) . . ?
F2 Si1 N2 162.32(11) . . ?
N1 Si1 N2 68.90(12) . . ?
C32 Si1 N2 96.99(13) . . ?
F1 Si1 C2 107.17(11) . . ?
F2 Si1 C2 129.58(11) . . ?
N1 Si1 C2 35.30(11) . . ?
C32 Si1 C2 113.49(13) . . ?
N2 Si1 C2 33.74(11) . . ?
C2 N1 C9 130.1(3) . . ?
C2 N1 Si1 95.1(2) . . ?
C9 N1 Si1 134.8(2) . . ?
F3 Si2 F4 91.36(11) . . ?
F3 Si2 N4 128.37(12) . . ?
F4 Si2 N4 95.45(11) . . ?
F3 Si2 C50 114.99(13) . . ?
F4 Si2 C50 97.31(12) . . ?
N4 Si2 C50 114.72(13) . . ?
F3 Si2 N3 90.50(13) . . ?
F4 Si2 N3 161.03(12) . . ?
N4 Si2 N3 68.88(12) . . ?
C50 Si2 N3 98.99(13) . . ?
F3 Si2 C17 111.35(12) . . ?
F4 Si2 C17 129.64(11) . . ?
N4 Si2 C17 35.20(11) . . ?
C50 Si2 C17 110.97(13) . . ?
N3 Si2 C17 33.70(11) . . ?
C2 N2 C13 129.4(3) . . ?
C2 N2 Si1 89.2(2) . . ?
C13 N2 Si1 140.5(2) . . ?
N2 C2 N1 106.4(3) . . ?
N2 C2 C3 127.3(3) . . ?
N1 C2 C3 126.2(3) . . ?
N2 C2 Si1 57.06(17) . . ?
N1 C2 Si1 49.64(15) . . ?
C3 C2 Si1 171.1(2) . . ?
C62 P3 C56 102.73(14) . . ?
C62 P3 C55 104.80(14) . . ?
C56 P3 C55 104.70(14) . . ?
C62 P3 Ag1 115.07(11) . . ?
C56 P3 Ag1 108.49(11) . . ?
C55 P3 Ag1 119.37(10) . . ?
C8 C3 C4 119.8(3) . . ?
C8 C3 C2 122.0(3) . . ?
C4 C3 C2 118.1(3) . . ?
C17 N4 C28 128.4(2) . . ?
C17 N4 Si2 93.96(19) . . ?
C28 N4 Si2 137.2(2) . . ?
C5 C4 C3 119.4(3) . . ?
C4 C5 C6 120.7(3) . . ?
C7 C6 C5 119.6(3) . . ?
C8 C7 C6 120.3(3) . . ?
C3 C8 C7 120.2(3) . . ?
N1 C9 C11 107.8(3) . . ?
N1 C9 C12 108.7(3) . . ?
C11 C9 C12 110.3(3) . . ?
N1 C9 C10 113.0(3) . . ?
C11 C9 C10 109.7(3) . . ?
C12 C9 C10 107.4(3) . . ?
N2 C13 C15 110.0(3) . . ?
N2 C13 C16 106.0(3) . . ?
C15 C13 C16 108.4(3) . . ?
N2 C13 C14 111.4(3) . . ?
C15 C13 C14 111.4(4) . . ?
C16 C13 C14 109.4(3) . . ?
N3 C17 N4 107.1(3) . . ?
N3 C17 C18 124.8(3) . . ?
N4 C17 C18 128.1(3) . . ?
N3 C17 Si2 56.25(17) . . ?
N4 C17 Si2 50.84(14) . . ?
C18 C17 Si2 178.0(2) . . ?
C23 C18 C19 119.8(3) . . ?
C23 C18 C17 119.4(3) . . ?
C19 C18 C17 120.6(3) . . ?
C20 C19 C18 119.4(3) . . ?
C21 C20 C19 120.5(3) . . ?
C20 C21 C22 120.3(3) . . ?
C21 C22 C23 119.7(3) . . ?
C18 C23 C22 120.3(3) . . ?
C17 N3 C24 130.6(3) . . ?
C17 N3 Si2 90.1(2) . . ?
C24 N3 Si2 137.3(2) . . ?
C26A C24 N3 119.6(8) . . ?
C26A C24 C25A 123.2(11) . . ?
N3 C24 C25A 102.2(8) . . ?
N3 C24 C27 107.7(3) . . ?
N3 C24 C26 109.1(3) . . ?
C27 C24 C26 113.7(4) . . ?
N3 C24 C25 112.2(3) . . ?
C27 C24 C25 106.7(4) . . ?
C26 C24 C25 107.5(3) . . ?
C26A C24 C27A 103.2(9) . . ?
N3 C24 C27A 103.8(7) . . ?
C25A C24 C27A 101.9(10) . . ?
C30A C28 N4 116.4(4) . . ?
N4 C28 C31 113.2(4) . . ?
C30A C28 C31A 112.3(5) . . ?
N4 C28 C31A 110.5(4) . . ?
N4 C28 C29 114.0(3) . . ?
C31 C28 C29 111.7(5) . . ?
C30A C28 C29A 107.0(5) . . ?
N4 C28 C29A 102.2(3) . . ?
C31A C28 C29A 107.5(5) . . ?
N4 C28 C30 105.0(3) . . ?
C31 C28 C30 105.3(5) . . ?
C29 C28 C30 106.8(4) . . ?
C33 C32 C37 117.5(3) . . ?
C33 C32 Si1 115.5(2) . . ?
C37 C32 Si1 126.9(2) . . ?
C34 C33 C32 122.2(3) . . ?
C35 C34 C33 119.5(3) . . ?
C34 C35 C36 120.2(3) . . ?
C35 C36 C37 120.9(3) . . ?
C36 C37 C32 119.6(3) . . ?
C36 C37 P1 118.7(2) . . ?
C32 C37 P1 121.6(2) . . ?
C43 C38 C39 118.7(3) . . ?
C43 C38 P1 124.0(2) . . ?
C39 C38 P1 117.3(2) . . ?
C40 C39 C38 120.9(3) . . ?
C39 C40 C41 119.6(3) . . ?
C42 C41 C40 119.7(3) . . ?
C41 C42 C43 120.8(3) . . ?
C42 C43 C38 120.2(3) . . ?
C49 C44 C45 119.3(3) . . ?
C49 C44 P1 118.4(2) . . ?
C45 C44 P1 122.3(2) . . ?
C46 C45 C44 120.1(3) . . ?
C45 C46 C47 120.3(3) . . ?
C48 C47 C46 119.7(3) . . ?
C47 C48 C49 120.6(3) . . ?
C48 C49 C44 120.1(3) . . ?
C55 C50 C51 116.5(3) . . ?
C55 C50 Si2 127.4(2) . . ?
C51 C50 Si2 115.9(2) . . ?
C52 C51 C50 122.5(3) . . ?
C51 C52 C53 120.0(3) . . ?
C54 C53 C52 119.2(3) . . ?
C53 C54 C55 121.3(3) . . ?
C54 C55 C50 120.5(3) . . ?
C54 C55 P3 118.2(2) . . ?
C50 C55 P3 121.3(2) . . ?
C57 C56 C61 119.2(3) . . ?
C57 C56 P3 118.0(2) . . ?
C61 C56 P3 122.9(2) . . ?
C58 C57 C56 120.6(3) . . ?
C57 C58 C59 119.9(3) . . ?
C60 C59 C58 119.9(3) . . ?
C59 C60 C61 120.6(3) . . ?
C60 C61 C56 119.8(3) . . ?
C63 C62 C67 119.6(3) . . ?
C63 C62 P3 118.8(2) . . ?
C67 C62 P3 121.5(2) . . ?
C62 C63 C64 120.3(3) . . ?
C65 C64 C63 119.7(3) . . ?
C66 C65 C64 120.4(3) . . ?
C65 C66 C67 120.2(3) . . ?
C66 C67 C62 119.9(3) . . ?
C70 C69 C74 116.7(6) . . ?
C70 C69 C68 122.6(6) . . ?
C74 C69 C68 120.6(6) . . ?
C69 C70 C71 121.7(6) . . ?
C72 C71 C70 121.6(6) . . ?
C71 C72 C73 117.9(7) . . ?
C74 C73 C72 121.4(7) . . ?
C73 C74 C69 120.7(7) . . ?
C70A C69A C74A 116.6(11) . . ?
C70A C69A C68A 120.7(14) . . ?
C74A C69A C68A 122.6(14) . . ?
C71A C70A C69A 122.7(14) . . ?
C72A C71A C70A 120.3(13) . . ?
C71A C72A C73A 118.9(12) . . ?
C72A C73A C74A 121.1(13) . . ?
C73A C74A C69A 119.6(12) . . ?
C77 C76 C81 116.3(8) . . ?
C77 C76 C75 120.6(8) . . ?
C81 C76 C75 122.8(7) . . ?
C76 C77 C78 121.7(9) . . ?
C79 C78 C77 120.6(10) . . ?
C78 C79 C80 118.9(9) . . ?
C81 C80 C79 120.0(9) . . ?
C80 C81 C76 122.3(9) . . ?
C106 C101 C102 118.3(9) . . ?
C106 C101 C100 119.0(11) . . ?
C102 C101 C100 122.8(11) . . ?
C103 C102 C101 120.4(10) . . ?
C102 C103 C104 121.1(11) . . ?
C105 C104 C103 118.7(11) . . ?
C104 C105 C106 121.5(11) . . ?
C101 C106 C105 120.1(10) . . ?

_refine_diff_density_max         1.275
_refine_diff_density_min         -1.072
_refine_diff_density_rms         0.083



