# Electronic Supplementary Material (ESI) for RSC Advances.
# This journal is © The Royal Society of Chemistry 2019

####################################################################### 
# 
# 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_exp_129
_database_code_depnum_ccdc_archive 'CCDC 1911532'
loop_
_audit_author_name
_audit_author_address
'Mukesh Kumar'
;Bhabha Atomic Research Centre
India
;
_audit_update_record             
;
2019-04-22 deposited with the CCDC.	2019-05-28 downloaded from the CCDC.
;
_audit_creation_date             2017-11-07
_audit_creation_method           
;
Olex2 1.2
(compiled 2015.09.30 svn.r3233 for OlexSys, GUI svn.r5103)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C64 H58 Cu In P2 Se4'
_chemical_formula_sum            'C64 H58 Cu In P2 Se4'
_chemical_formula_weight         1383.24
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C64 Cu In P2 Se4'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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'
Cu Cu -1.9646 0.5888 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
In In 0.0822 5.0449 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Se Se -0.7943 1.1372 '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      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
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                   22.6988(9)
_cell_length_b                   13.1304(4)
_cell_length_c                   21.1832(10)
_cell_angle_alpha                90
_cell_angle_beta                 110.171(5)
_cell_angle_gamma                90
_cell_volume                     5926.3(4)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    5803
_cell_measurement_temperature    293
_cell_measurement_theta_max      66.9930
_cell_measurement_theta_min      3.9380
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    7.156
_exptl_absorpt_correction_T_max  0.566
_exptl_absorpt_correction_T_min  0.242
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.43 (Rigaku Oxford Diffraction, 2015)
Numerical absorption correction based on gaussian integration over
			a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            orange
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.550
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2744
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
2 -3 -12 0.0957
-11 -5 0 0.0764
5 -6 -10 0.0882
11 5 0 0.0743
4 4 -12 0.1202
-9 6 0 0.0581
11 -5 0 0.0568
5 7 -8 0.1104
-5 8 0 0.0565
4 -8 1 0.0455
14 0 0 0.0699
-4 3 13 0.1090
8 7 0 0.0788
-14 -1 0 0.0607
-2 4 -11 0.1086

_exptl_crystal_size_max          0.275
_exptl_crystal_size_mid          0.148
_exptl_crystal_size_min          0.108
loop_
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
1.8386 -3.2699 -12.3978 -0.6502 -0.4542 0.6091
-11.0028 -4.9941 -0.0041 -0.9163 -0.0241 -0.3684
4.9925 -6.0021 -10.0054 -0.6743 -0.0133 0.7615
11.0028 4.9941 0.0041 0.9163 0.0241 0.3684
3.9903 3.9986 -11.9933 0.1041 -0.8641 0.4739
-9.0024 6.0048 0.0082 0.1502 -0.7228 -0.6122
11.0030 -5.0059 -0.0074 0.0245 0.7208 0.6764
4.9941 6.9978 -7.9909 0.5556 -0.7990 0.2933
-4.9871 7.9603 0.1026 0.4997 -0.7177 -0.4850
4.1832 -8.0673 0.6538 -0.5169 0.7434 0.4244
13.8072 0.4872 0.0002 0.6345 0.4330 0.6403
-4.1901 3.2645 12.6861 0.5592 0.3923 -0.7303
8.0020 6.9957 0.0069 0.9663 -0.2169 0.1644
-13.7297 -0.5364 -0.1934 -0.6424 -0.4386 -0.6285
-2.0104 4.0017 -10.9926 -0.1172 -1.0072 0.1550

_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1022
_diffrn_reflns_av_unetI/netI     0.0854
_diffrn_reflns_Laue_measured_fraction_full 0.990
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            17451
_diffrn_reflns_point_group_measured_fraction_full 0.990
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_theta_full        67.427
_diffrn_reflns_theta_max         67.427
_diffrn_reflns_theta_min         3.955
_diffrn_ambient_temperature      293
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 8.3200
_diffrn_detector_type            Titan
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     18.00 112.00   1.00    2.00    --   43.54  57.00 -90.00   94
  2  ω    131.00 157.00   1.00   10.00    --  102.90  77.00-180.00   26
  3  ω     81.00 109.00   1.00   10.00    --  102.90  77.00-180.00   28
  4  ω     36.00 129.00   1.00   10.00    --  102.90 -30.00-180.00   93
  5  ω     52.00 110.00   1.00   10.00    --  102.90 -95.00 -90.00   58
  6  ω     44.00  94.00   1.00   10.00    --  102.90 -77.00 -60.00   50
  7  ω     34.00 142.00   1.00   10.00    --  102.90 -15.00   0.00  108
  8  ω     96.00 157.00   1.00   10.00    --  102.90  15.00  30.00   61
  9  ω     79.00 120.00   1.00   10.00    --  102.90  45.00   0.00   41
 10  ω     72.00  97.00   1.00    2.00    --   43.54 126.00 150.00   25
 11  ω    -26.00  69.00   1.00    2.00    --   43.54 -57.00 120.00   95
 12  ω      9.00  85.00   1.00    2.00    --   43.54-126.00  60.00   76
 13  ω     33.00 122.00   1.00   10.00    --  102.90 -61.00  30.00   89
 14  ω     86.00 121.00   1.00   10.00    --  102.90-126.00 150.00   35
 15  ω     34.00  98.00   1.00   10.00    --  102.90 -95.00  30.00   64
 16  ω     20.00  64.00   1.00   10.00    --  102.90 -95.00-120.00   44
 17  ω     24.00 107.00   1.00   10.00    --  102.90 -95.00-180.00   83
 18  ω   -116.00 -91.00   1.00    2.00    --  -43.54 -99.00 -90.00   25
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Single source at offset, Titan'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0428068000
_diffrn_orient_matrix_UB_12      0.0891345000
_diffrn_orient_matrix_UB_13      0.0352827000
_diffrn_orient_matrix_UB_21      0.0338214000
_diffrn_orient_matrix_UB_22      -0.0697461000
_diffrn_orient_matrix_UB_23      0.0600461000
_diffrn_orient_matrix_UB_31      0.0474580000
_diffrn_orient_matrix_UB_32      -0.0307559000
_diffrn_orient_matrix_UB_33      -0.0339774000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3200
_reflns_number_total             5291
_reflns_odcompleteness_completeness 99.33
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_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       'CrysAlisPro 1.171.38.43 (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.43 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.43 (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         1.017
_refine_diff_density_min         -1.248
_refine_diff_density_rms         0.145
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.121
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     296
_refine_ls_number_reflns         5291
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1175
_refine_ls_R_factor_gt           0.0684
_refine_ls_restrained_S_all      1.121
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1094P)²+15.4635P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1727
_refine_ls_wR_factor_ref         0.2523
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(C9) = Uanis(C10) = Uanis(C11) = Uanis(C12) = Uanis(C13) = Uanis(C14)
3.a Secondary CH2 refined with riding coordinates:
 C8(H8A,H8B), C7(H7A,H7B)
3.b Aromatic/amide H refined with riding coordinates:
 C22(H22), C32(H32), C28(H28), C5(H5), C16(H16), C26(H26), C23(H23), C10(H10),
 C20(H20), C19(H19), C31(H31), C14(H14), C25(H25), C29(H29), C1(H1), C17(H17),
 C18(H18), C30(H30), C4(H4), C24(H24), C2(H2), C12(H12), C11(H11), C13(H13),
 C3(H3)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_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
In1 In 0.5000 0.47402(7) 0.2500 0.0638(3) Uani 1 2 d S T P . .
Se1 Se 0.50872(5) 0.60502(8) 0.34625(6) 0.0635(3) Uani 1 1 d . . . . .
Se2 Se 0.40226(6) 0.36425(10) 0.22724(8) 0.0824(4) Uani 1 1 d . . . . .
Cu1 Cu 0.5000 0.72893(14) 0.2500 0.0605(5) Uani 1 2 d S T P . .
P1 P 0.59133(10) 0.81323(17) 0.26098(14) 0.0581(6) Uani 1 1 d . . . . .
C9 C 0.6123(7) 0.6271(12) 0.4721(9) 0.1053(19) Uani 1 1 d . . . . .
C27 C 0.5799(4) 0.9123(7) 0.1974(6) 0.065(3) Uani 1 1 d . . . . .
C21 C 0.6294(5) 0.8840(8) 0.3388(6) 0.068(3) Uani 1 1 d . . . . .
C15 C 0.6542(5) 0.7391(7) 0.2480(6) 0.068(3) Uani 1 1 d . . . . .
C22 C 0.6930(5) 0.8971(9) 0.3671(7) 0.080(3) Uani 1 1 d . . . . .
H22 H 0.7192 0.8648 0.3479 0.096 Uiso 1 1 calc R . . . .
C32 C 0.5656(5) 0.8814(8) 0.1302(6) 0.071(3) Uani 1 1 d . . . . .
H32 H 0.5619 0.8126 0.1191 0.085 Uiso 1 1 calc R . . . .
C6 C 0.4046(5) 0.2784(7) 0.0986(6) 0.068(3) Uani 1 1 d . . . . .
C28 C 0.5834(5) 1.0139(8) 0.2118(5) 0.068(3) Uani 1 1 d . . . . .
H28 H 0.5917 1.0353 0.2559 0.082 Uiso 1 1 calc R . . . .
C5 C 0.4533(6) 0.2872(9) 0.0723(7) 0.082(3) Uani 1 1 d . . . . .
H5 H 0.4947 0.2805 0.1007 0.098 Uiso 1 1 calc R . . . .
C16 C 0.6572(5) 0.6359(9) 0.2601(7) 0.080(3) Uani 1 1 d . . . . .
H16 H 0.6276 0.6051 0.2751 0.096 Uiso 1 1 calc R . . . .
C26 C 0.5912(5) 0.9310(9) 0.3694(7) 0.079(3) Uani 1 1 d . . . . .
H26 H 0.5479 0.9218 0.3515 0.095 Uiso 1 1 calc R . . . .
C23 C 0.7189(6) 0.9565(11) 0.4231(7) 0.091(4) Uani 1 1 d . . . . .
H23 H 0.7622 0.9654 0.4412 0.109 Uiso 1 1 calc R . . . .
C10 C 0.5931(7) 0.5775(13) 0.5188(8) 0.1053(19) Uani 1 1 d . . . . .
H10 H 0.5676 0.5205 0.5052 0.126 Uiso 1 1 calc R . . . .
C8 C 0.5981(7) 0.5838(14) 0.4041(6) 0.103(5) Uani 1 1 d . . . . .
H8A H 0.6071 0.5114 0.4078 0.123 Uiso 1 1 calc R . . . .
H8B H 0.6252 0.6153 0.3828 0.123 Uiso 1 1 calc R . . . .
C20 C 0.6988(5) 0.7824(11) 0.2254(7) 0.084(3) Uani 1 1 d . . . . .
H20 H 0.6969 0.8519 0.2165 0.101 Uiso 1 1 calc R . . . .
C19 C 0.7466(5) 0.7241(12) 0.2157(7) 0.087(4) Uani 1 1 d . . . . .
H19 H 0.7771 0.7551 0.2021 0.105 Uiso 1 1 calc R . . . .
C31 C 0.5573(6) 0.9537(11) 0.0813(7) 0.089(4) Uani 1 1 d . . . . .
H31 H 0.5474 0.9325 0.0370 0.107 Uiso 1 1 calc R . . . .
C14 C 0.6475(7) 0.7159(12) 0.4933(8) 0.1053(19) Uani 1 1 d . . . . .
H14 H 0.6611 0.7539 0.4639 0.126 Uiso 1 1 calc R . . . .
C25 C 0.6166(6) 0.9914(12) 0.4262(8) 0.098(4) Uani 1 1 d . . . . .
H25 H 0.5906 1.0230 0.4459 0.118 Uiso 1 1 calc R . . . .
C29 C 0.5746(6) 1.0868(9) 0.1606(8) 0.090(4) Uani 1 1 d . . . . .
H29 H 0.5768 1.1558 0.1710 0.108 Uiso 1 1 calc R . . . .
C1 C 0.3458(6) 0.2908(11) 0.0543(8) 0.098(4) Uani 1 1 d . . . . .
H1 H 0.3123 0.2871 0.0700 0.117 Uiso 1 1 calc R . . . .
C17 C 0.7047(7) 0.5769(11) 0.2498(9) 0.107(5) Uani 1 1 d . . . . .
H17 H 0.7069 0.5075 0.2589 0.129 Uiso 1 1 calc R . . . .
C18 C 0.7481(5) 0.6213(12) 0.2263(9) 0.110(6) Uani 1 1 d . . . . .
H18 H 0.7783 0.5814 0.2176 0.132 Uiso 1 1 calc R . . . .
C30 C 0.5628(7) 1.0563(12) 0.0950(7) 0.098(4) Uani 1 1 d . . . . .
H30 H 0.5587 1.1037 0.0611 0.118 Uiso 1 1 calc R . . . .
C4 C 0.4403(7) 0.3058(12) 0.0040(8) 0.095(4) Uani 1 1 d . . . . .
H4 H 0.4728 0.3099 -0.0132 0.114 Uiso 1 1 calc R . . . .
C24 C 0.6795(7) 1.0039(12) 0.4526(8) 0.105(5) Uani 1 1 d . . . . .
H24 H 0.6967 1.0442 0.4906 0.126 Uiso 1 1 calc R . . . .
C7 C 0.4194(7) 0.2533(10) 0.1717(7) 0.092(4) Uani 1 1 d . . . . .
H7A H 0.4634 0.2350 0.1909 0.111 Uiso 1 1 calc R . . . .
H7B H 0.3950 0.1939 0.1748 0.111 Uiso 1 1 calc R . . . .
C2 C 0.3335(7) 0.3086(13) -0.0128(8) 0.111(5) Uani 1 1 d . . . . .
H2 H 0.2921 0.3142 -0.0417 0.134 Uiso 1 1 calc R . . . .
C12 C 0.6398(7) 0.6880(12) 0.6028(9) 0.1053(19) Uani 1 1 d . . . . .
H12 H 0.6473 0.7079 0.6470 0.126 Uiso 1 1 calc R . . . .
C11 C 0.6094(7) 0.6076(12) 0.5831(9) 0.1053(19) Uani 1 1 d . . . . .
H11 H 0.5979 0.5682 0.6134 0.126 Uiso 1 1 calc R . . . .
C13 C 0.6625(7) 0.7479(13) 0.5652(8) 0.1053(19) Uani 1 1 d . . . . .
H13 H 0.6862 0.8058 0.5826 0.126 Uiso 1 1 calc R . . . .
C3 C 0.3802(7) 0.3179(11) -0.0369(8) 0.100(4) Uani 1 1 d . . . . .
H3 H 0.3713 0.3328 -0.0822 0.120 Uiso 1 1 calc R . . . .


_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
In1 Se1 2.6225(13) 2_655 ?
In1 Se1 2.6225(13) . ?
In1 Se2 2.5483(13) 2_655 ?
In1 Se2 2.5483(13) . ?
Se1 Cu1 2.5623(16) . ?
Se1 C8 1.995(14) . ?
Se2 C7 1.992(14) . ?
Cu1 Se1 2.5624(16) 2_655 ?
Cu1 P1 2.290(2) 2_655 ?
Cu1 P1 2.290(2) . ?
P1 C27 1.825(11) . ?
P1 C21 1.828(11) . ?
P1 C15 1.825(11) . ?
C9 C10 1.38(2) . ?
C9 C8 1.48(2) . ?
C9 C14 1.40(2) . ?
C27 C32 1.407(16) . ?
C27 C28 1.365(15) . ?
C21 C22 1.370(15) . ?
C21 C26 1.393(17) . ?
C15 C16 1.376(16) . ?
C15 C20 1.381(16) . ?
C22 H22 0.9300 . ?
C22 C23 1.371(18) . ?
C32 H32 0.9300 . ?
C32 C31 1.370(18) . ?
C6 C5 1.402(17) . ?
C6 C1 1.352(17) . ?
C6 C7 1.506(18) . ?
C28 H28 0.9300 . ?
C28 C29 1.408(17) . ?
C5 H5 0.9300 . ?
C5 C4 1.394(19) . ?
C16 H16 0.9300 . ?
C16 C17 1.405(17) . ?
C26 H26 0.9300 . ?
C26 C25 1.391(19) . ?
C23 H23 0.9300 . ?
C23 C24 1.40(2) . ?
C10 H10 0.9300 . ?
C10 C11 1.34(2) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C20 H20 0.9300 . ?
C20 C19 1.401(18) . ?
C19 H19 0.9300 . ?
C19 C18 1.37(2) . ?
C31 H31 0.9300 . ?
C31 C30 1.37(2) . ?
C14 H14 0.9300 . ?
C14 C13 1.50(2) . ?
C25 H25 0.9300 . ?
C25 C24 1.350(19) . ?
C29 H29 0.9300 . ?
C29 C30 1.38(2) . ?
C1 H1 0.9300 . ?
C1 C2 1.37(2) . ?
C17 H17 0.9300 . ?
C17 C18 1.37(2) . ?
C18 H18 0.9300 . ?
C30 H30 0.9300 . ?
C4 H4 0.9300 . ?
C4 C3 1.35(2) . ?
C24 H24 0.9300 . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C2 H2 0.9300 . ?
C2 C3 1.33(2) . ?
C12 H12 0.9300 . ?
C12 C11 1.25(2) . ?
C12 C13 1.34(2) . ?
C11 H11 0.9300 . ?
C13 H13 0.9300 . ?
C3 H3 0.9300 . ?

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
Se1 In1 Se1 98.02(6) . 2_655 ?
Se2 In1 Se1 113.36(4) . 2_655 ?
Se2 In1 Se1 110.21(4) . . ?
Se2 In1 Se1 113.36(4) 2_655 . ?
Se2 In1 Se1 110.21(4) 2_655 2_655 ?
Se2 In1 Se2 111.11(7) . 2_655 ?
Cu1 Se1 In1 80.41(5) . . ?
C8 Se1 In1 100.0(4) . . ?
C8 Se1 Cu1 111.1(5) . . ?
C7 Se2 In1 101.0(4) . . ?
Se1 Cu1 Se1 101.17(8) . 2_655 ?
P1 Cu1 Se1 114.04(7) . . ?
P1 Cu1 Se1 101.92(7) . 2_655 ?
P1 Cu1 Se1 101.92(7) 2_655 . ?
P1 Cu1 Se1 114.04(7) 2_655 2_655 ?
P1 Cu1 P1 122.19(14) . 2_655 ?
C27 P1 Cu1 112.1(3) . . ?
C27 P1 C21 101.9(5) . . ?
C27 P1 C15 100.9(5) . . ?
C21 P1 Cu1 117.8(4) . . ?
C15 P1 Cu1 117.0(3) . . ?
C15 P1 C21 104.8(5) . . ?
C10 C9 C8 120.2(16) . . ?
C10 C9 C14 116.8(17) . . ?
C14 C9 C8 122.9(17) . . ?
C32 C27 P1 117.8(7) . . ?
C28 C27 P1 123.3(9) . . ?
C28 C27 C32 118.9(10) . . ?
C22 C21 P1 123.9(10) . . ?
C22 C21 C26 118.1(11) . . ?
C26 C21 P1 117.9(7) . . ?
C16 C15 P1 119.2(9) . . ?
C16 C15 C20 118.4(11) . . ?
C20 C15 P1 122.4(9) . . ?
C21 C22 H22 119.2 . . ?
C21 C22 C23 121.6(13) . . ?
C23 C22 H22 119.2 . . ?
C27 C32 H32 120.3 . . ?
C31 C32 C27 119.3(11) . . ?
C31 C32 H32 120.3 . . ?
C5 C6 C7 120.1(11) . . ?
C1 C6 C5 116.1(13) . . ?
C1 C6 C7 123.7(13) . . ?
C27 C28 H28 119.7 . . ?
C27 C28 C29 120.7(11) . . ?
C29 C28 H28 119.7 . . ?
C6 C5 H5 119.6 . . ?
C4 C5 C6 120.9(12) . . ?
C4 C5 H5 119.6 . . ?
C15 C16 H16 119.8 . . ?
C15 C16 C17 120.3(13) . . ?
C17 C16 H16 119.8 . . ?
C21 C26 H26 119.5 . . ?
C25 C26 C21 121.1(11) . . ?
C25 C26 H26 119.5 . . ?
C22 C23 H23 120.4 . . ?
C22 C23 C24 119.2(12) . . ?
C24 C23 H23 120.4 . . ?
C9 C10 H10 118.4 . . ?
C11 C10 C9 123.1(17) . . ?
C11 C10 H10 118.4 . . ?
Se1 C8 H8A 109.2 . . ?
Se1 C8 H8B 109.2 . . ?
C9 C8 Se1 112.2(9) . . ?
C9 C8 H8A 109.2 . . ?
C9 C8 H8B 109.2 . . ?
H8A C8 H8B 107.9 . . ?
C15 C20 H20 119.2 . . ?
C15 C20 C19 121.6(13) . . ?
C19 C20 H20 119.2 . . ?
C20 C19 H19 120.3 . . ?
C18 C19 C20 119.4(12) . . ?
C18 C19 H19 120.3 . . ?
C32 C31 H31 118.6 . . ?
C32 C31 C30 122.8(14) . . ?
C30 C31 H31 118.6 . . ?
C9 C14 H14 121.2 . . ?
C9 C14 C13 117.7(17) . . ?
C13 C14 H14 121.2 . . ?
C26 C25 H25 120.3 . . ?
C24 C25 C26 119.4(14) . . ?
C24 C25 H25 120.3 . . ?
C28 C29 H29 119.8 . . ?
C30 C29 C28 120.4(12) . . ?
C30 C29 H29 119.8 . . ?
C6 C1 H1 118.7 . . ?
C6 C1 C2 122.5(15) . . ?
C2 C1 H1 118.7 . . ?
C16 C17 H17 119.8 . . ?
C18 C17 C16 120.4(14) . . ?
C18 C17 H17 119.8 . . ?
C19 C18 C17 119.8(13) . . ?
C19 C18 H18 120.1 . . ?
C17 C18 H18 120.1 . . ?
C31 C30 C29 117.9(13) . . ?
C31 C30 H30 121.0 . . ?
C29 C30 H30 121.0 . . ?
C5 C4 H4 120.3 . . ?
C3 C4 C5 119.4(15) . . ?
C3 C4 H4 120.3 . . ?
C23 C24 H24 119.7 . . ?
C25 C24 C23 120.5(14) . . ?
C25 C24 H24 119.7 . . ?
Se2 C7 H7A 108.4 . . ?
Se2 C7 H7B 108.4 . . ?
C6 C7 Se2 115.3(9) . . ?
C6 C7 H7A 108.4 . . ?
C6 C7 H7B 108.4 . . ?
H7A C7 H7B 107.5 . . ?
C1 C2 H2 119.7 . . ?
C3 C2 C1 120.7(14) . . ?
C3 C2 H2 119.7 . . ?
C11 C12 H12 117.4 . . ?
C11 C12 C13 125.2(19) . . ?
C13 C12 H12 117.4 . . ?
C10 C11 H11 119.5 . . ?
C12 C11 C10 121(2) . . ?
C12 C11 H11 119.5 . . ?
C14 C13 H13 122.0 . . ?
C12 C13 C14 116.0(16) . . ?
C12 C13 H13 122.0 . . ?
C4 C3 H3 119.9 . . ?
C2 C3 C4 120.3(16) . . ?
C2 C3 H3 119.9 . . ?

_shelx_SHELXL_version_number     2014/7
_olex2_date_sample_data_collection 2017-10-26
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 3.735
_oxdiff_exptl_absorpt_empirical_full_min 0.333
