#------------------------------------------------------------------------------
#$Date: 2019-11-23 13:31:29 +0200 (Sat, 23 Nov 2019) $
#$Revision: 233452 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/20/7702054.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7702054
loop_
_publ_author_name
'Naga Babu, Chatla'
'Srinivas, Katam'
'Prabusankar, Ganesan'
_publ_section_title
;
 Facile access to zinc and cadmium selones: highly active catalysts for
 Barbier reactions in aqueous media.
;
_journal_issue                   15
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              6456
_journal_page_last               6465
_journal_paper_doi               10.1039/c5dt04871k
_journal_volume                  45
_journal_year                    2016
_chemical_formula_moiety         'C45 H54 Cd1 Cl1 N6 O6 Se3, Cl1 O4'
_chemical_formula_sum            'C45 H54 Cd Cl2 N6 O10 Se3'
_chemical_formula_weight         1259.16
_space_group_crystal_system      trigonal
_space_group_IT_number           148
_space_group_name_Hall           '-R 3'
_space_group_name_H-M_alt        'R -3 :H'
_symmetry_Int_Tables_number      148
_audit_creation_date             2016-02-13
_audit_creation_method
;
Olex2 1.2
(compiled 2015.09.30 svn.r3233 for OlexSys, GUI svn.r5103)
;
_audit_update_record
;
2016-02-23 deposited with the CCDC.
2016-02-25 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   14.6180(3)
_cell_length_b                   14.6180(3)
_cell_length_c                   45.0966(10)
_cell_measurement_reflns_used    10914
_cell_measurement_temperature    293
_cell_measurement_theta_max      70.9130
_cell_measurement_theta_min      3.9810
_cell_volume                     8345.5(3)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'olex2.refine (Bourhis et al., 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      293
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 16.1293
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 0.9925
_diffrn_measured_fraction_theta_max 0.9916
_diffrn_measurement_details
;
#__ type_ start__ end____ width___ exp.time_
  1 omega  -68.00  -13.00   1.0000    6.7700
omega____ theta____ kappa____ phi______ frames
    -      -33.5000  -63.0000  150.0000 55

#__ type_ start__ end____ width___ exp.time_
  2 omega  -98.00  -45.00   1.0000    6.7700
omega____ theta____ kappa____ phi______ frames
    -      -33.5000  178.0000 -180.0000 53

#__ type_ start__ end____ width___ exp.time_
  3 omega  -90.00  -40.00   1.0000    6.7700
omega____ theta____ kappa____ phi______ frames
    -      -33.5000  178.0000   60.0000 50

#__ type_ start__ end____ width___ exp.time_
  4 omega  -98.00   -5.00   1.0000    6.7700
omega____ theta____ kappa____ phi______ frames
    -      -33.5000  -77.0000   90.0000 93

#__ type_ start__ end____ width___ exp.time_
  5 omega   23.00   93.00   1.0000    6.7700
omega____ theta____ kappa____ phi______ frames
    -       54.0000 -125.0000  -90.0000 70

#__ type_ start__ end____ width___ exp.time_
  6 omega   -7.00   82.00   1.0000    6.7700
omega____ theta____ kappa____ phi______ frames
    -       54.0000  -77.0000  -60.0000 89

#__ type_ start__ end____ width___ exp.time_
  7 omega   36.00   71.00   1.0000    6.7700
omega____ theta____ kappa____ phi______ frames
    -       54.0000  -57.0000   90.0000 35

#__ type_ start__ end____ width___ exp.time_
  8 omega   74.00  113.00   1.0000    6.7700
omega____ theta____ kappa____ phi______ frames
    -       54.0000   57.0000  120.0000 39

#__ type_ start__ end____ width___ exp.time_
  9 omega   92.00  121.00   1.0000    6.7700
omega____ theta____ kappa____ phi______ frames
    -       54.0000   77.0000   60.0000 29

#__ type_ start__ end____ width___ exp.time_
 10 omega   29.00   62.00   1.0000    6.7700
omega____ theta____ kappa____ phi______ frames
    -       54.0000   77.0000   60.0000 33

#__ type_ start__ end____ width___ exp.time_
 11 omega   16.00  126.00   1.0000    6.7700
omega____ theta____ kappa____ phi______ frames
    -       54.0000   19.0000   60.0000 110

#__ type_ start__ end____ width___ exp.time_
 12 omega   35.00   70.00   1.0000    6.7700
omega____ theta____ kappa____ phi______ frames
    -       54.0000   57.0000  120.0000 35

#__ type_ start__ end____ width___ exp.time_
 13 omega   55.00   93.00   1.0000    6.7700
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -38.0000   60.0000 38

#__ type_ start__ end____ width___ exp.time_
 14 omega   60.00   86.00   1.0000    6.7700
omega____ theta____ kappa____ phi______ frames
    -      108.0000 -111.0000    0.0000 26

#__ type_ start__ end____ width___ exp.time_
 15 omega   38.00   90.00   1.0000    6.7700
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -38.0000  150.0000 52

#__ type_ start__ end____ width___ exp.time_
 16 omega   37.00   82.00   1.0000    6.7700
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -38.0000  -30.0000 45

#__ type_ start__ end____ width___ exp.time_
 17 omega   41.00   67.00   1.0000    6.7700
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -38.0000   90.0000 26

#__ type_ start__ end____ width___ exp.time_
 18 omega   51.00  128.00   1.0000    6.7700
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -77.0000    0.0000 77

#__ type_ start__ end____ width___ exp.time_
 19 omega   58.00  103.00   1.0000    6.7700
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -50.0000 -180.0000 45

#__ type_ start__ end____ width___ exp.time_
 20 omega   39.00   78.00   1.0000    6.7700
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -25.0000   30.0000 39

#__ type_ start__ end____ width___ exp.time_
 21 omega   90.00  172.00   1.0000    6.7700
omega____ theta____ kappa____ phi______ frames
    -      108.0000   50.0000  -90.0000 82

#__ type_ start__ end____ width___ exp.time_
 22 omega   45.00   93.00   1.0000    6.7700
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -38.0000  -90.0000 48

#__ type_ start__ end____ width___ exp.time_
 23 omega   61.00   94.00   1.0000    6.7700
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -25.0000 -150.0000 33

#__ type_ start__ end____ width___ exp.time_
 24 omega   51.00   90.00   1.0000    6.7700
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -38.0000    0.0000 39

#__ type_ start__ end____ width___ exp.time_
 25 omega   37.00   69.00   1.0000    6.7700
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -38.0000  120.0000 32

#__ type_ start__ end____ width___ exp.time_
 26 omega   53.00  107.00   1.0000    6.7700
omega____ theta____ kappa____ phi______ frames
    -      108.0000 -111.0000  -30.0000 54

#__ type_ start__ end____ width___ exp.time_
 27 omega   38.00   64.00   1.0000    6.7700
omega____ theta____ kappa____ phi______ frames
    -      108.0000 -111.0000   30.0000 26

#__ type_ start__ end____ width___ exp.time_
 28 omega   84.00  109.00   1.0000    6.7700
omega____ theta____ kappa____ phi______ frames
    -      108.0000 -111.0000   30.0000 25

#__ type_ start__ end____ width___ exp.time_
 29 omega   65.00  112.00   1.0000    6.7700
omega____ theta____ kappa____ phi______ frames
    -      108.0000 -111.0000  150.0000 47

#__ type_ start__ end____ width___ exp.time_
 30 omega   43.00  174.00   1.0000    6.7700
omega____ theta____ kappa____ phi______ frames
    -      108.0000    0.0000 -120.0000 131

#__ type_ start__ end____ width___ exp.time_
 31 omega   44.00  143.00   1.0000    6.7700
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -91.0000 -180.0000 99
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      0.0925582000
_diffrn_orient_matrix_UB_12      -0.0217664000
_diffrn_orient_matrix_UB_13      -0.0022231000
_diffrn_orient_matrix_UB_21      -0.0753625000
_diffrn_orient_matrix_UB_22      -0.1169630000
_diffrn_orient_matrix_UB_23      0.0076827000
_diffrn_orient_matrix_UB_31      -0.0236969000
_diffrn_orient_matrix_UB_32      -0.0256388000
_diffrn_orient_matrix_UB_33      -0.0332093000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0391
_diffrn_reflns_av_unetI/netI     0.0206
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       42
_diffrn_reflns_limit_l_min       -54
_diffrn_reflns_number            19412
_diffrn_reflns_theta_full        71.0001
_diffrn_reflns_theta_max         71.00
_diffrn_reflns_theta_min         3.63
_diffrn_source                   'sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    6.732
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.69258
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.5031
_exptl_crystal_description       block
_exptl_crystal_F_000             3780.4700
_exptl_crystal_size_max          0.07
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.06
_refine_diff_density_max         3.5887
_refine_diff_density_min         -1.1400
_refine_diff_density_rms         0.1050
_refine_ls_d_res_high            0.8153
_refine_ls_d_res_low             12.1884
_refine_ls_goodness_of_fit_ref   1.0384
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_constraints    27
_refine_ls_number_parameters     205
_refine_ls_number_reflns         3558
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.0384
_refine_ls_R_factor_all          0.0450
_refine_ls_R_factor_gt           0.0417
_refine_ls_shift/su_max          0.0119
_refine_ls_shift/su_mean         0.0020
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1017P)²+19.4629P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1416
_refine_ls_wR_factor_ref         0.1482
_reflns_Friedel_coverage         0.0
_reflns_limit_h_max              15
_reflns_limit_h_min              0
_reflns_limit_k_max              15
_reflns_limit_k_min              0
_reflns_limit_l_max              54
_reflns_limit_l_min              -54
_reflns_number_gt                3274
_reflns_number_total             3558
_reflns_threshold_expression     I>=2u(I)
_cod_data_source_file            c5dt04871k2.cif
_cod_data_source_block           5
_cod_original_sg_symbol_H-M      'R -3'
_cod_database_code               7702054
_chemical_oxdiff_formula         'C10 H19 N2 O4'
_reflns_odcompleteness_completeness 99.97
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C4(H4a,H4b)
2.b Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C9(H9), C11(H11)
2.c Idealised Me refined as rotating group:
 C6(H6a,H6b,H6c), C13(H13a,H13b,H13c), C14(H14a,H14b,H14c), C15(H15a,H15b,H15c)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -y,x-y,z
3 -x+y,-x,z
4 -x,-y,-z
5 y,-x+y,-z
6 x-y,x,-z
7 x+1/3,y+2/3,z+2/3
8 -y+1/3,x-y+2/3,z+2/3
9 -x+y+1/3,-x+2/3,z+2/3
10 -x+1/3,-y+2/3,-z+2/3
11 y+1/3,-x+y+2/3,-z+2/3
12 x-y+1/3,x+2/3,-z+2/3
13 x+2/3,y+1/3,z+1/3
14 -y+2/3,x-y+1/3,z+1/3
15 -x+y+2/3,-x+1/3,z+1/3
16 -x+2/3,-y+1/3,-z+1/3
17 y+2/3,-x+y+1/3,-z+1/3
18 x-y+2/3,x+1/3,-z+1/3
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_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
C1 C 0.6512(3) 0.0992(3) 0.04845(9) 0.0519(8) Uani 1.000000 1 . . .
C2 C 0.7466(4) 0.0373(4) 0.07004(11) 0.0656(11) Uani 1.000000 1 . . .
H2 H 0.7717(4) 0.0092(4) 0.08426(11) 0.0787(13) Uiso 1.000000 1 R . .
C3 C 0.7812(4) 0.0622(4) 0.04246(11) 0.0678(11) Uani 1.000000 1 . . .
H3 H 0.8355(4) 0.0559(4) 0.03377(11) 0.0814(13) Uiso 1.000000 1 R . .
C4 C 0.7341(4) 0.1392(4) -0.00151(9) 0.0624(10) Uani 1.000000 1 . . .
H4a H 0.8002(4) 0.2055(4) -0.00305(9) 0.0749(12) Uiso 1.000000 1 R . .
H4b H 0.6772(4) 0.1526(4) -0.00630(9) 0.0749(12) Uiso 1.000000 1 R . .
C5 C 0.7341(3) 0.0611(4) -0.02349(10) 0.0622(10) Uani 1.000000 1 . . .
C6 C 0.7474(7) 0.0372(6) -0.07449(14) 0.110(2) Uani 1.000000 1 . . .
H6a H 0.743(5) 0.068(3) -0.09288(16) 0.164(3) Uiso 1.000000 1 GR . .
H6b H 0.810(2) 0.032(4) -0.0743(8) 0.164(3) Uiso 1.000000 1 GR . .
H6c H 0.687(3) -0.0321(16) -0.0724(8) 0.164(3) Uiso 1.000000 1 GR . .
C7 C 0.6110(3) 0.0492(3) 0.10144(9) 0.0545(9) Uani 1.000000 1 . . .
C8 C 0.5138(3) -0.0416(4) 0.10575(10) 0.0640(10) Uani 1.000000 1 . . .
C9 C 0.4637(4) -0.0487(5) 0.13294(12) 0.0783(14) Uani 1.000000 1 . . .
H9 H 0.3976(4) -0.1073(5) 0.13654(12) 0.0940(17) Uiso 1.000000 1 R . .
C10 C 0.5091(4) 0.0284(5) 0.15445(11) 0.0733(12) Uani 1.000000 1 . . .
C11 C 0.6071(4) 0.1149(4) 0.14929(11) 0.0714(12) Uani 1.000000 1 . . .
H11 H 0.6389(4) 0.1660(4) 0.16396(11) 0.0856(14) Uiso 1.000000 1 R . .
C12 C 0.6595(4) 0.1273(3) 0.12243(10) 0.0632(10) Uani 1.000000 1 . . .
C13 C 0.7662(6) 0.2227(4) 0.11763(15) 0.098(2) Uani 1.000000 1 . . .
H13a H 0.8169(10) 0.2007(5) 0.1137(13) 0.147(3) Uiso 1.000000 1 GR . .
H13b H 0.7632(12) 0.262(2) 0.1010(8) 0.147(3) Uiso 1.000000 1 GR . .
H13c H 0.787(2) 0.266(2) 0.1351(5) 0.147(3) Uiso 1.000000 1 GR . .
C14 C 0.4545(6) 0.0187(8) 0.18368(14) 0.116(3) Uani 1.000000 1 . . .
H14a H 0.444(5) 0.078(3) 0.1862(7) 0.173(4) Uiso 1.000000 1 GR . .
H14b H 0.387(2) -0.045(3) 0.1838(6) 0.173(4) Uiso 1.000000 1 GR . .
H14c H 0.497(2) 0.017(5) 0.19958(17) 0.173(4) Uiso 1.000000 1 GR . .
C15 C 0.4654(5) -0.1270(4) 0.08235(15) 0.0941(18) Uani 1.000000 1 . . .
H15a H 0.455(4) -0.0979(11) 0.0644(4) 0.141(3) Uiso 1.000000 1 GR . .
H15b H 0.512(2) -0.154(3) 0.0786(9) 0.141(3) Uiso 1.000000 1 GR . .
H15c H 0.399(2) -0.183(2) 0.0893(5) 0.141(3) Uiso 1.000000 1 GR . .
Cd1 Cd 0.666666666667 0.333333333333 0.025041(10) 0.05037(18) Uani 1.000000 3 S
T P
Cl1 Cl 0.666666666667 0.333333333333 -0.02941(4) 0.0615(4) Uani 1.000000 3 S T
P
Cl2 Cl 0.0 0.0 0.10424(6) 0.0863(6) Uani 1.000000 3 S T P
N1 N 0.6662(3) 0.0606(3) 0.07396(7) 0.0554(7) Uani 1.000000 1 . . .
N2 N 0.7208(3) 0.0995(3) 0.02896(7) 0.0566(8) Uani 1.000000 1 . . .
O1 O 0.7216(4) -0.0233(3) -0.01771(9) 0.0945(12) Uani 1.000000 1 . . .
O2 O 0.7503(3) 0.1028(3) -0.05018(7) 0.0799(9) Uani 1.000000 1 . . .
O3 O 0.1006(6) 0.0616(7) 0.1153(2) 0.207(4) Uani 1.000000 1 . . .
O4 O 0.0 0.0 0.0754(3) 0.302(13) Uani 1.000000 3 S T P
Se1 Se 0.54687(3) 0.13500(3) 0.042227(10) 0.05807(19) Uani 1.000000 1 . . .
loop_
_atom_type_symbol
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_Cromer_Mann_a1
_atom_type_scat_Cromer_Mann_a2
_atom_type_scat_Cromer_Mann_a3
_atom_type_scat_Cromer_Mann_a4
_atom_type_scat_Cromer_Mann_b1
_atom_type_scat_Cromer_Mann_b2
_atom_type_scat_Cromer_Mann_b3
_atom_type_scat_Cromer_Mann_b4
_atom_type_scat_Cromer_Mann_c
_atom_type_scat_source
_atom_type_scat_dispersion_source
C 0.01920 0.00962 2.31000 1.02000 1.58860 0.86500 20.84390 10.20750 0.56870
51.65120 0.215599998832
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
Cl 0.36843 0.69943 11.46040 7.19640 6.25560 1.64550 0.01040 1.16620 18.51940
47.77840 -9.55739974976
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
H 0.00000 0.00000 0.49300 0.32291 0.14019 0.04081 10.51090 26.12570 3.14236
57.79970 0.0030380000826
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
O 0.05239 0.03377 3.04850 2.28680 1.54630 0.86700 13.27710 5.70110 0.32390
32.90890 0.250800013542
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
N 0.03256 0.01839 12.21260 3.13220 2.01250 1.16630 0.00570 9.89330 28.99750
0.58260 -11.5290002823
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
Cd 0.15708 4.73503 19.22140 17.64440 4.46100 1.60290 0.59460 6.90890 24.70080
87.48250 5.06939983368
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
Se -0.79210 1.18296 17.00060 5.81960 3.97310 4.35430 2.40980 0.27260 15.23720
43.81630 2.84089994431
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
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
N2 C1 N1 106.2(3) . .
Se1 C1 N1 125.0(3) . .
Se1 C1 N2 128.7(3) . .
N1 C2 C3 107.7(4) . .
N2 C3 C2 106.9(4) . .
N2 C4 C5 111.4(4) . .
O1 C5 C4 125.8(4) . .
O2 C5 C4 108.5(4) . .
O2 C5 O1 125.6(4) . .
C12 C7 C8 123.6(4) . .
N1 C7 C8 118.5(4) . .
N1 C7 C12 118.0(4) . .
C9 C8 C7 116.0(4) . .
C15 C8 C7 121.5(4) . .
C15 C8 C9 122.4(5) . .
C10 C9 C8 122.2(5) . .
C11 C10 C9 119.1(4) . .
C14 C10 C9 121.4(5) . .
C14 C10 C11 119.4(6) . .
C12 C11 C10 121.1(5) . .
C11 C12 C7 117.9(4) . .
C13 C12 C7 122.5(4) . .
C13 C12 C11 119.6(5) . .
Se1 Cd1 Cl1 107.039(14) 2_655 .
Se1 Cd1 Cl1 107.039(14) 3_665 .
Se1 Cd1 Cl1 107.039(14) . .
Se1 Cd1 Se1 111.790(13) 3_665 2_655
Se1 Cd1 Se1 111.790(12) 3_665 .
Se1 Cd1 Se1 111.790(13) 2_655 .
O3 Cl2 O3 107.6(5) 2 .
O3 Cl2 O3 107.6(4) 3 .
O3 Cl2 O3 107.6(5) 3 2
O4 Cl2 O3 111.3(4) . 3
O4 Cl2 O3 111.3(4) . .
O4 Cl2 O3 111.3(4) . 2
C2 N1 C1 109.2(3) . .
C7 N1 C1 125.7(3) . .
C7 N1 C2 125.0(3) . .
C3 N2 C1 109.9(3) . .
C4 N2 C1 124.4(3) . .
C4 N2 C3 125.6(4) . .
C6 O2 C5 116.7(5) . .
Cd1 Se1 C1 99.54(12) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 N1 1.346(5) .
C1 N2 1.343(5) .
C1 Se1 1.864(4) .
C2 C3 1.323(7) .
C2 N1 1.390(6) .
C3 N2 1.388(5) .
C4 C5 1.512(6) .
C4 N2 1.466(5) .
C5 O1 1.182(6) .
C5 O2 1.316(6) .
C6 O2 1.442(7) .
C7 C8 1.390(6) .
C7 C12 1.376(6) .
C7 N1 1.442(5) .
C8 C9 1.405(7) .
C8 C15 1.513(7) .
C9 C10 1.379(8) .
C10 C11 1.376(7) .
C10 C14 1.511(7) .
C11 C12 1.396(7) .
C12 C13 1.500(7) .
Cd1 Cl1 2.4555(16) .
Cd1 Se1 2.6449(4) .
Cd1 Se1 2.6449(4) 2_655
Cd1 Se1 2.6449(4) 3_665
Cl2 O3 1.378(8) 2
Cl2 O3 1.378(8) .
Cl2 O3 1.378(8) 3
Cl2 O4 1.300(14) .
