# Electronic Supplementary Material (ESI) for New Journal of Chemistry.
# This journal is © The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 2024

####################################################################### 
# 
# 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_shelx
_database_code_depnum_ccdc_archive 'CCDC 1983495'
loop_
_audit_author_name
_audit_author_address
'Amey P. Wadawale'
;Bhabha Atomic Research Centre
India
;
_audit_update_record             
;
2020-02-12 deposited with the CCDC.	2024-06-05 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2017/1
_shelx_SHELXL_version_number     2017/1
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C64 H58 Ag In P2 Se4'
_chemical_formula_weight         1427.57

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'
In In -0.7276 1.3100 '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'
Se Se -0.0929 2.2259 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 2/c'
_space_group_name_Hall           '-C 2yc'

_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, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -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'

_cell_length_a                   22.8804(7)
_cell_length_b                   13.3317(3)
_cell_length_c                   20.9760(7)
_cell_angle_alpha                90
_cell_angle_beta                 110.300(3)
_cell_angle_gamma                90
_cell_volume                     6001.0(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    298(2)
_cell_measurement_reflns_used    11036
_cell_measurement_theta_min      2.9800
_cell_measurement_theta_max      28.4830

_exptl_crystal_description       PLATE
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.580
_exptl_crystal_F_000             2816
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.050
_exptl_absorpt_coefficient_mu    3.228
_shelx_estimated_absorpt_T_min   0.565
_shelx_estimated_absorpt_T_max   0.855
_exptl_absorpt_correction_T_min  0.65186
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.57a (Rigaku Oxford Diffraction, 2019)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_oxdiff_exptl_absorpt_empirical_full_min 0.651
_oxdiff_exptl_absorpt_empirical_full_max 1.517
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_diffrn_ambient_temperature      298(2)
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Mo) X-ray Source'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  mirror
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_type            HyPix
_diffrn_detector_area_resol_mean 10.0000
_diffrn_reflns_number            30087
_diffrn_reflns_av_unetI/netI     0.0326
_diffrn_reflns_av_R_equivalents  0.0324
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_h_max       32
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_theta_min         2.233
_diffrn_reflns_theta_max         30.903
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.803
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.803
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.803
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             7613
_reflns_number_gt                5700
_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       'CrysAlisPro 1.171.40.57a (Rigaku OD, 2019)'
_computing_cell_refinement       'CrysAlisPro 1.171.40.57a (Rigaku OD, 2019)'
_computing_data_reduction        'CrysAlisPro 1.171.40.57a (Rigaku OD, 2019)'
_computing_structure_solution    'SHELXS-2017/1 (Sheldrick, 2017)'
_computing_structure_refinement  'SHELXL-2017/1 (Sheldrick, 2017)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_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)+(0.0278P)²+4.9017P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   diffmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         7613
_refine_ls_number_parameters     316
_refine_ls_number_restraints     48
_refine_ls_R_factor_all          0.0569
_refine_ls_R_factor_gt           0.0342
_refine_ls_wR_factor_ref         0.0700
_refine_ls_wR_factor_gt          0.0650
_refine_ls_goodness_of_fit_ref   1.019
_refine_ls_restrained_S_all      1.021
_refine_ls_shift/su_max          0.002
_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
C1 C 0.40714(15) 0.9425(3) 0.09063(16) 0.0812(11) Uani 1 1 d . . . . .
H1A H 0.379276 0.927541 0.115223 0.097 Uiso 1 1 calc R U . . .
H1B H 0.402774 1.013149 0.078852 0.097 Uiso 1 1 calc R U . . .
C2 C 0.38871(10) 0.88257(15) 0.02784(9) 0.0513(7) Uani 1 1 d G U . . .
C3 C 0.35257(11) 0.79680(18) 0.02140(14) 0.0944(13) Uani 1 1 d G U . . .
H3 H 0.342359 0.774012 0.058114 0.113 Uiso 1 1 calc R U . . .
C4 C 0.33169(12) 0.74508(16) -0.03993(19) 0.148(2) Uani 1 1 d G U . . .
H4 H 0.307509 0.687689 -0.044246 0.177 Uiso 1 1 calc R U . . .
C5 C 0.34695(15) 0.7791(3) -0.09481(13) 0.165(3) Uani 1 1 d G U . . .
H5 H 0.332981 0.744526 -0.135843 0.198 Uiso 1 1 calc R U . . .
C6 C 0.38309(14) 0.8649(3) -0.08836(10) 0.135(2) Uani 1 1 d G U . . .
H6 H 0.393303 0.887686 -0.125081 0.162 Uiso 1 1 calc R U . . .
C7 C 0.40397(11) 0.91662(19) -0.02704(12) 0.0786(10) Uani 1 1 d G U . . .
H7 H 0.428153 0.974012 -0.022722 0.094 Uiso 1 1 calc R U . . .
C8 C 0.58229(18) 1.2535(2) 0.33008(17) 0.0693(9) Uani 1 1 d . . . . .
H8A H 0.608241 1.310449 0.328819 0.083 Uiso 1 1 calc R U . . .
H8B H 0.539203 1.274699 0.310131 0.083 Uiso 1 1 calc R U . . .
C9 C 0.59473(14) 1.2263(2) 0.40287(15) 0.0536(7) Uani 1 1 d . . . . .
C10 C 0.65496(15) 1.2138(2) 0.44761(18) 0.0693(9) Uani 1 1 d . . . . .
H10 H 0.688226 1.220104 0.432057 0.083 Uiso 1 1 calc R U . . .
C11 C 0.66617(17) 1.1921(3) 0.51514(18) 0.0782(10) Uani 1 1 d . . . . .
H11 H 0.706979 1.184494 0.544706 0.094 Uiso 1 1 calc R U . . .
C12 C 0.61848(18) 1.1818(3) 0.53896(17) 0.0751(10) Uani 1 1 d . . . . .
H12 H 0.626402 1.167129 0.584539 0.090 Uiso 1 1 calc R U . . .
C13 C 0.55904(17) 1.1931(3) 0.49556(18) 0.0716(9) Uani 1 1 d . . . . .
H13 H 0.526155 1.185957 0.511633 0.086 Uiso 1 1 calc R U . . .
C14 C 0.54681(15) 1.2149(2) 0.42781(16) 0.0615(8) Uani 1 1 d . . . . .
H14 H 0.505784 1.222029 0.398724 0.074 Uiso 1 1 calc R U . . .
C15 C 0.34098(11) 0.75848(19) 0.24940(13) 0.0438(6) Uani 1 1 d . . . . .
C16 C 0.34047(13) 0.8606(2) 0.23761(17) 0.0619(8) Uani 1 1 d . . . . .
H16 H 0.370561 0.888723 0.222567 0.074 Uiso 1 1 calc R U . . .
C17 C 0.29562(17) 0.9212(3) 0.2480(2) 0.0920(13) Uani 1 1 d . . . . .
H17 H 0.295475 0.989625 0.239471 0.110 Uiso 1 1 calc R U . . .
C18 C 0.25149(16) 0.8811(3) 0.2707(2) 0.0905(13) Uani 1 1 d . . . . .
H18 H 0.221493 0.922249 0.277821 0.109 Uiso 1 1 calc R U . . .
C19 C 0.25157(14) 0.7812(3) 0.28281(18) 0.0775(11) Uani 1 1 d . . . . .
H19 H 0.221312 0.754097 0.298027 0.093 Uiso 1 1 calc R U . . .
C20 C 0.29609(12) 0.7188(2) 0.27285(15) 0.0581(8) Uani 1 1 d . . . . .
H20 H 0.295897 0.650511 0.281852 0.070 Uiso 1 1 calc R U . . .
C21 C 0.41568(11) 0.58719(18) 0.30232(13) 0.0418(6) Uani 1 1 d . . . . .
C22 C 0.43182(15) 0.6185(2) 0.36937(15) 0.0582(7) Uani 1 1 d . . . . .
H22 H 0.436540 0.686431 0.379911 0.070 Uiso 1 1 calc R U . . .
C23 C 0.44086(17) 0.5484(3) 0.42032(17) 0.0762(10) Uani 1 1 d . . . . .
H23 H 0.450063 0.569707 0.464959 0.091 Uiso 1 1 calc R U . . .
C24 C 0.43641(17) 0.4473(3) 0.40590(19) 0.0799(11) Uani 1 1 d . . . . .
H24 H 0.442691 0.400603 0.440567 0.096 Uiso 1 1 calc R U . . .
C25 C 0.42276(17) 0.4163(2) 0.34054(18) 0.0713(9) Uani 1 1 d . . . . .
H25 H 0.420445 0.348165 0.330579 0.086 Uiso 1 1 calc R U . . .
C26 C 0.41236(13) 0.4856(2) 0.28906(15) 0.0531(7) Uani 1 1 d . . . . .
H26 H 0.402932 0.463530 0.244563 0.064 Uiso 1 1 calc R U . . .
C27 C 0.36671(12) 0.61273(19) 0.15950(13) 0.0428(6) Uani 1 1 d . . . . .
C28 C 0.40570(14) 0.5671(2) 0.13017(15) 0.0608(8) Uani 1 1 d . . . . .
H28 H 0.448435 0.578188 0.148437 0.073 Uiso 1 1 calc R U . . .
C29 C 0.38185(18) 0.5053(3) 0.07412(17) 0.0773(10) Uani 1 1 d . . . . .
H29 H 0.408548 0.473600 0.055689 0.093 Uiso 1 1 calc R U . . .
C30 C 0.31871(19) 0.4908(3) 0.04581(17) 0.0809(11) Uani 1 1 d . . . . .
H30 H 0.302487 0.450100 0.007736 0.097 Uiso 1 1 calc R U . . .
C31 C 0.27992(16) 0.5360(3) 0.07341(18) 0.0762(10) Uani 1 1 d . . . . .
H31 H 0.237146 0.526158 0.053876 0.091 Uiso 1 1 calc R U . . .
C32 C 0.30316(13) 0.5967(2) 0.13029(15) 0.0560(7) Uani 1 1 d . . . . .
H32 H 0.276035 0.626746 0.148858 0.067 Uiso 1 1 calc R U . . .
Ag1 Ag 0.500000 0.77491(2) 0.250000 0.04814(8) Uani 1 2 d S T P . .
In1 In 0.500000 1.03845(2) 0.250000 0.04132(7) Uani 1 2 d S T P . .
P2 P 0.40278(3) 0.68321(5) 0.23712(3) 0.03817(14) Uani 1 1 d . . . . .
Se1 Se 0.49427(2) 0.91586(2) 0.15057(2) 0.04461(7) Uani 1 1 d . . . . .
Se2 Se 0.59737(2) 1.14569(2) 0.27301(2) 0.06077(9) Uani 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 C2 1.471(3) . ?
C1 Se1 1.985(3) . ?
C1 H1A 0.9700 . ?
C1 H1B 0.9700 . ?
C2 C3 1.3900 . ?
C2 C7 1.3900 . ?
C3 C4 1.3900 . ?
C3 H3 0.9300 . ?
C4 C5 1.3900 . ?
C4 H4 0.9300 . ?
C5 C6 1.3900 . ?
C5 H5 0.9300 . ?
C6 C7 1.3900 . ?
C6 H6 0.9300 . ?
C7 H7 0.9300 . ?
C8 C9 1.497(4) . ?
C8 Se2 1.976(3) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C9 C14 1.377(4) . ?
C9 C10 1.382(4) . ?
C10 C11 1.380(5) . ?
C10 H10 0.9300 . ?
C11 C12 1.356(5) . ?
C11 H11 0.9300 . ?
C12 C13 1.357(5) . ?
C12 H12 0.9300 . ?
C13 C14 1.381(5) . ?
C13 H13 0.9300 . ?
C14 H14 0.9300 . ?
C15 C16 1.383(4) . ?
C15 C20 1.388(4) . ?
C15 P2 1.823(3) . ?
C16 C17 1.381(4) . ?
C16 H16 0.9300 . ?
C17 C18 1.366(6) . ?
C17 H17 0.9300 . ?
C18 C19 1.357(6) . ?
C18 H18 0.9300 . ?
C19 C20 1.386(4) . ?
C19 H19 0.9300 . ?
C20 H20 0.9300 . ?
C21 C26 1.379(4) . ?
C21 C22 1.388(4) . ?
C21 P2 1.821(3) . ?
C22 C23 1.380(4) . ?
C22 H22 0.9300 . ?
C23 C24 1.377(5) . ?
C23 H23 0.9300 . ?
C24 C25 1.360(5) . ?
C24 H24 0.9300 . ?
C25 C26 1.378(4) . ?
C25 H25 0.9300 . ?
C26 H26 0.9300 . ?
C27 C32 1.385(4) . ?
C27 C28 1.388(4) . ?
C27 P2 1.812(3) . ?
C28 C29 1.383(4) . ?
C28 H28 0.9300 . ?
C29 C30 1.372(5) . ?
C29 H29 0.9300 . ?
C30 C31 1.357(5) . ?
C30 H30 0.9300 . ?
C31 C32 1.386(4) . ?
C31 H31 0.9300 . ?
C32 H32 0.9300 . ?
Ag1 P2 2.4696(6) . ?
Ag1 P2 2.4697(6) 2_655 ?
Ag1 Se1 2.7762(3) 2_655 ?
Ag1 Se1 2.7763(3) . ?
In1 Se2 2.5484(3) . ?
In1 Se2 2.5484(3) 2_655 ?
In1 Se1 2.6169(3) 2_655 ?
In1 Se1 2.6169(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
C2 C1 Se1 112.5(2) . . ?
C2 C1 H1A 109.1 . . ?
Se1 C1 H1A 109.1 . . ?
C2 C1 H1B 109.1 . . ?
Se1 C1 H1B 109.1 . . ?
H1A C1 H1B 107.8 . . ?
C3 C2 C7 120.0 . . ?
C3 C2 C1 120.7(2) . . ?
C7 C2 C1 119.2(2) . . ?
C2 C3 C4 120.0 . . ?
C2 C3 H3 120.0 . . ?
C4 C3 H3 120.0 . . ?
C3 C4 C5 120.0 . . ?
C3 C4 H4 120.0 . . ?
C5 C4 H4 120.0 . . ?
C6 C5 C4 120.0 . . ?
C6 C5 H5 120.0 . . ?
C4 C5 H5 120.0 . . ?
C7 C6 C5 120.0 . . ?
C7 C6 H6 120.0 . . ?
C5 C6 H6 120.0 . . ?
C6 C7 C2 120.0 . . ?
C6 C7 H7 120.0 . . ?
C2 C7 H7 120.0 . . ?
C9 C8 Se2 115.5(2) . . ?
C9 C8 H8A 108.4 . . ?
Se2 C8 H8A 108.4 . . ?
C9 C8 H8B 108.4 . . ?
Se2 C8 H8B 108.4 . . ?
H8A C8 H8B 107.5 . . ?
C14 C9 C10 117.8(3) . . ?
C14 C9 C8 121.3(3) . . ?
C10 C9 C8 120.9(3) . . ?
C11 C10 C9 120.6(3) . . ?
C11 C10 H10 119.7 . . ?
C9 C10 H10 119.7 . . ?
C12 C11 C10 120.9(3) . . ?
C12 C11 H11 119.6 . . ?
C10 C11 H11 119.6 . . ?
C11 C12 C13 119.3(3) . . ?
C11 C12 H12 120.4 . . ?
C13 C12 H12 120.4 . . ?
C12 C13 C14 120.8(3) . . ?
C12 C13 H13 119.6 . . ?
C14 C13 H13 119.6 . . ?
C9 C14 C13 120.7(3) . . ?
C9 C14 H14 119.7 . . ?
C13 C14 H14 119.7 . . ?
C16 C15 C20 118.5(3) . . ?
C16 C15 P2 118.4(2) . . ?
C20 C15 P2 123.1(2) . . ?
C17 C16 C15 120.5(3) . . ?
C17 C16 H16 119.7 . . ?
C15 C16 H16 119.7 . . ?
C18 C17 C16 120.4(4) . . ?
C18 C17 H17 119.8 . . ?
C16 C17 H17 119.8 . . ?
C19 C18 C17 119.7(3) . . ?
C19 C18 H18 120.1 . . ?
C17 C18 H18 120.1 . . ?
C18 C19 C20 121.0(3) . . ?
C18 C19 H19 119.5 . . ?
C20 C19 H19 119.5 . . ?
C19 C20 C15 119.8(3) . . ?
C19 C20 H20 120.1 . . ?
C15 C20 H20 120.1 . . ?
C26 C21 C22 118.4(3) . . ?
C26 C21 P2 123.7(2) . . ?
C22 C21 P2 117.8(2) . . ?
C23 C22 C21 119.8(3) . . ?
C23 C22 H22 120.1 . . ?
C21 C22 H22 120.1 . . ?
C24 C23 C22 120.8(3) . . ?
C24 C23 H23 119.6 . . ?
C22 C23 H23 119.6 . . ?
C25 C24 C23 119.5(3) . . ?
C25 C24 H24 120.3 . . ?
C23 C24 H24 120.3 . . ?
C24 C25 C26 120.2(3) . . ?
C24 C25 H25 119.9 . . ?
C26 C25 H25 119.9 . . ?
C25 C26 C21 121.2(3) . . ?
C25 C26 H26 119.4 . . ?
C21 C26 H26 119.4 . . ?
C32 C27 C28 118.3(3) . . ?
C32 C27 P2 124.0(2) . . ?
C28 C27 P2 117.6(2) . . ?
C29 C28 C27 120.9(3) . . ?
C29 C28 H28 119.6 . . ?
C27 C28 H28 119.6 . . ?
C30 C29 C28 119.8(3) . . ?
C30 C29 H29 120.1 . . ?
C28 C29 H29 120.1 . . ?
C31 C30 C29 120.0(3) . . ?
C31 C30 H30 120.0 . . ?
C29 C30 H30 120.0 . . ?
C30 C31 C32 120.9(3) . . ?
C30 C31 H31 119.5 . . ?
C32 C31 H31 119.5 . . ?
C27 C32 C31 120.1(3) . . ?
C27 C32 H32 120.0 . . ?
C31 C32 H32 120.0 . . ?
P2 Ag1 P2 120.66(3) . 2_655 ?
P2 Ag1 Se1 102.898(16) . 2_655 ?
P2 Ag1 Se1 116.540(16) 2_655 2_655 ?
P2 Ag1 Se1 116.542(16) . . ?
P2 Ag1 Se1 102.897(16) 2_655 . ?
Se1 Ag1 Se1 94.810(13) 2_655 . ?
Se2 In1 Se2 111.748(18) . 2_655 ?
Se2 In1 Se1 113.615(10) . 2_655 ?
Se2 In1 Se1 107.470(10) 2_655 2_655 ?
Se2 In1 Se1 107.467(10) . . ?
Se2 In1 Se1 113.614(10) 2_655 . ?
Se1 In1 Se1 102.701(14) 2_655 . ?
C27 P2 C21 102.41(12) . . ?
C27 P2 C15 106.17(12) . . ?
C21 P2 C15 102.26(12) . . ?
C27 P2 Ag1 117.85(9) . . ?
C21 P2 Ag1 111.14(8) . . ?
C15 P2 Ag1 115.17(8) . . ?
C1 Se1 In1 98.90(9) . . ?
C1 Se1 Ag1 111.86(13) . . ?
In1 Se1 Ag1 81.243(10) . . ?
C8 Se2 In1 101.41(11) . . ?

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
Se1 C1 C2 C3 101.0(2) . . . . ?
Se1 C1 C2 C7 -83.7(3) . . . . ?
C7 C2 C3 C4 0.0 . . . . ?
C1 C2 C3 C4 175.3(2) . . . . ?
C2 C3 C4 C5 0.0 . . . . ?
C3 C4 C5 C6 0.0 . . . . ?
C4 C5 C6 C7 0.0 . . . . ?
C5 C6 C7 C2 0.0 . . . . ?
C3 C2 C7 C6 0.0 . . . . ?
C1 C2 C7 C6 -175.4(2) . . . . ?
Se2 C8 C9 C14 -109.4(3) . . . . ?
Se2 C8 C9 C10 72.0(3) . . . . ?
C14 C9 C10 C11 -0.9(5) . . . . ?
C8 C9 C10 C11 177.8(3) . . . . ?
C9 C10 C11 C12 0.5(5) . . . . ?
C10 C11 C12 C13 0.0(6) . . . . ?
C11 C12 C13 C14 -0.1(5) . . . . ?
C10 C9 C14 C13 0.8(4) . . . . ?
C8 C9 C14 C13 -177.9(3) . . . . ?
C12 C13 C14 C9 -0.4(5) . . . . ?
C20 C15 C16 C17 -1.0(5) . . . . ?
P2 C15 C16 C17 -178.2(3) . . . . ?
C15 C16 C17 C18 0.6(6) . . . . ?
C16 C17 C18 C19 -0.3(6) . . . . ?
C17 C18 C19 C20 0.4(6) . . . . ?
C18 C19 C20 C15 -0.7(5) . . . . ?
C16 C15 C20 C19 1.0(4) . . . . ?
P2 C15 C20 C19 178.1(2) . . . . ?
C26 C21 C22 C23 -3.4(4) . . . . ?
P2 C21 C22 C23 178.7(3) . . . . ?
C21 C22 C23 C24 2.5(5) . . . . ?
C22 C23 C24 C25 -0.2(6) . . . . ?
C23 C24 C25 C26 -1.2(6) . . . . ?
C24 C25 C26 C21 0.2(5) . . . . ?
C22 C21 C26 C25 2.1(4) . . . . ?
P2 C21 C26 C25 179.8(2) . . . . ?
C32 C27 C28 C29 -1.5(5) . . . . ?
P2 C27 C28 C29 174.6(3) . . . . ?
C27 C28 C29 C30 1.8(5) . . . . ?
C28 C29 C30 C31 -0.9(6) . . . . ?
C29 C30 C31 C32 -0.2(6) . . . . ?
C28 C27 C32 C31 0.3(4) . . . . ?
P2 C27 C32 C31 -175.5(2) . . . . ?
C30 C31 C32 C27 0.5(5) . . . . ?
C32 C27 P2 C21 88.3(2) . . . . ?
C28 C27 P2 C21 -87.6(2) . . . . ?
C32 C27 P2 C15 -18.6(3) . . . . ?
C28 C27 P2 C15 165.5(2) . . . . ?
C32 C27 P2 Ag1 -149.4(2) . . . . ?
C28 C27 P2 Ag1 34.7(3) . . . . ?
C26 C21 P2 C27 14.6(3) . . . . ?
C22 C21 P2 C27 -167.7(2) . . . . ?
C26 C21 P2 C15 124.5(2) . . . . ?
C22 C21 P2 C15 -57.8(2) . . . . ?
C26 C21 P2 Ag1 -112.1(2) . . . . ?
C22 C21 P2 Ag1 65.6(2) . . . . ?
C16 C15 P2 C27 -106.8(2) . . . . ?
C20 C15 P2 C27 76.1(2) . . . . ?
C16 C15 P2 C21 146.2(2) . . . . ?
C20 C15 P2 C21 -30.9(2) . . . . ?
C16 C15 P2 Ag1 25.5(3) . . . . ?
C20 C15 P2 Ag1 -151.6(2) . . . . ?

_refine_diff_density_max         0.526
_refine_diff_density_min         -0.342
_refine_diff_density_rms         0.060

