#------------------------------------------------------------------------------
#$Date: 2020-04-05 13:53:38 +0300 (Sun, 05 Apr 2020) $
#$Revision: 250304 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/35/7703597.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_7703597
loop_
_publ_author_name
'Petrenko, Alla'
'Leitonas, Karolis'
'Volyniuk, Dmytro'
'Baryshnikov, Gleb V.'
'Belyakov, Sergey'
'Minaev, Boris F.'
'Ågren, Hans'
'Durgaryan, Hranush'
'GraŽulevičius, Juozas Vidas'
'Arsenyan, Pavel'
_publ_section_title
;
 Benzoselenophenylpyridine platinum complexes: green versus red
 phosphorescence towards hybrid OLEDs.
;
_journal_issue                   11
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3393
_journal_page_last               3397
_journal_paper_doi               10.1039/d0dt00214c
_journal_volume                  49
_journal_year                    2020
_chemical_formula_moiety         'C24 H27 N O2 Pt Se, C2 H3 N'
_chemical_formula_sum            'C26 H30 N2 O2 Pt Se'
_chemical_formula_weight         676.57
_space_group_crystal_system      orthorhombic
_space_group_IT_number           62
_space_group_name_Hall           '-P 2ac 2n'
_space_group_name_H-M_alt        'P n m a'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     iterative
_audit_creation_date             2019-04-02
_audit_creation_method
;
Olex2 1.2-ac4
(compiled 2018.05.17 svn.r3504 for Rigaku Oxford Diffraction, GUI svn.r5492)
;
_audit_update_record
;
2019-07-09 deposited with the CCDC.	2020-02-25 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   35.3302(2)
_cell_length_b                   6.8420(1)
_cell_length_c                   10.3388(1)
_cell_measurement_reflns_used    23918
_cell_measurement_temperature    150.0(1)
_cell_measurement_theta_max      77.1770
_cell_measurement_theta_min      3.7500
_cell_volume                     2499.19(5)
_computing_cell_refinement       'CrysAlisPro 1.171.40.35a (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.40.35a (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.40.35a (Rigaku OD, 2018)'
_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    'olex2.solve (Bourhis et al., 2015)'
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      150.0(1)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -96.00 -18.00   0.50    0.45    --  -49.35 136.00-120.00  156
  2  ω   -141.00-116.00   0.50    0.45    --  -84.25 -25.00-146.00   50
  3  ω    -89.00 -64.00   0.50    0.45    --  -84.25-136.00 174.00   50
  4  ω    100.00 142.00   0.50    0.45    --  105.75  25.00  17.00   84
  5  ω     41.00 117.00   0.50    0.45    --  105.75-136.00 174.00  152
  6  ω    116.00 143.00   0.50    0.45    --  105.75  98.00 170.00   54
  7  ω   -118.00 -93.00   0.50    0.45    --  -49.35 -77.00-180.00   50
  8  ω    -42.00  23.00   0.50    0.45    --  -49.35  37.00  60.00  130
  9  ω     15.00  40.00   0.50    0.45    --   49.66 -37.00 120.00   50
 10  ω     39.00  69.00   0.50    0.45    --  105.75 -61.00 -60.00   60
 11  ω     34.00  61.00   0.50    0.45    --  105.75 -77.00   0.00   54
 12  ω     42.00  76.00   0.50    0.45    --  105.75 -94.00-180.00   68
 13  ω     43.00  71.00   0.50    0.45    --  105.75 -61.00-120.00   56
 14  ω    104.00 130.00   0.50    0.45    --  105.75  15.00-180.00   52
 15  ω     94.00 134.00   0.50    0.45    --  105.75 125.00  30.00   80
 16  ω     92.00 122.00   0.50    0.45    --  105.75  61.00 150.00   60
 17  ω    152.00 177.00   0.50    0.45    --  105.75  61.00 150.00   50
 18  ω     53.00  97.00   0.50    0.45    --  105.75 -94.00 150.00   88
 19  ω     37.00  71.00   0.50    0.45    --  105.75 -61.00  30.00   68
 20  ω    144.00 170.00   0.50    0.45    --  105.75  15.00 -30.00   52
 21  ω    109.00 156.00   0.50    0.45    --  105.75 125.00 -60.00   94
 22  ω    128.00 154.00   0.50    0.45    --  105.75  30.00 -30.00   52
 23  ω     44.00  87.00   0.50    0.45    --  105.75 -77.00  60.00   86
 24  ω    137.00 178.00   0.50    0.45    --  105.75  15.00-180.00   82
 25  ω     34.00  88.00   0.50    0.45    --  105.75 -77.00 -60.00  108
 26  ω     34.00  70.00   0.50    0.45    --  105.75 -94.00-120.00   72
 27  ω     74.00 102.00   0.50    0.45    --  105.75 -94.00-120.00   56
 28  ω     35.00  60.00   0.50    0.45    --  105.75 -61.00  60.00   50
 29  ω     34.00  62.00   0.50    0.45    --  105.75 -77.00  30.00   56
 30  ω     74.00  99.00   0.50    0.45    --  105.75 -77.00  30.00   50
 31  ω     39.00  64.00   0.50    0.45    --  105.75 -61.00   0.00   50
 32  ω     52.00  92.00   0.50    0.45    --  105.75 -77.00  90.00   80
 33  ω    128.00 172.00   0.50    0.45    --  105.75  15.00 -90.00   88
 34  ω    108.00 146.00   0.50    0.45    --  105.75  15.00 -60.00   76
 35  ω     99.00 124.00   0.50    0.45    --  105.75  15.00 150.00   50
 36  ω     43.00  68.00   0.50    0.45    --  105.75 -77.00-120.00   50
 37  ω     34.00  59.00   0.50    0.45    --  105.75 -61.00-150.00   50
 38  ω     42.00  86.00   0.50    0.45    --  105.75-125.00-150.00   88
 39  ω     36.00  61.00   0.50    0.45    --  105.75 -61.00 120.00   50
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0188181000
_diffrn_orient_matrix_UB_12      -0.0206386000
_diffrn_orient_matrix_UB_13      0.2007968000
_diffrn_orient_matrix_UB_21      0.0366798000
_diffrn_orient_matrix_UB_22      0.0441741000
_diffrn_orient_matrix_UB_23      0.1019770000
_diffrn_orient_matrix_UB_31      -0.0142095000
_diffrn_orient_matrix_UB_32      0.1407634000
_diffrn_orient_matrix_UB_33      -0.0025601000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0648
_diffrn_reflns_av_unetI/netI     0.0291
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       44
_diffrn_reflns_limit_h_min       -43
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            25004
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         77.285
_diffrn_reflns_theta_min         4.956
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    12.358
_exptl_absorpt_correction_T_max  0.72403
_exptl_absorpt_correction_T_min  0.49798
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.40.35a (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    1.798
_exptl_crystal_description       Block
_exptl_crystal_F_000             1312
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.03
_refine_diff_density_max         2.136
_refine_diff_density_min         -2.139
_refine_diff_density_rms         0.187
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.222
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     187
_refine_ls_number_reflns         2865
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.222
_refine_ls_R_factor_all          0.0339
_refine_ls_R_factor_gt           0.0339
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0526P)²+5.6554P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0927
_refine_ls_wR_factor_ref         0.0927
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2864
_reflns_number_total             2865
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0dt00214c2.cif
_cod_data_source_block           a561new
_cod_depositor_comments
'Adding full bibliography for 7703596--7703598.cif.'
_cod_original_formula_sum        'C26 H30 N2 O2 Pt1 Se1'
_cod_database_code               7703597
_shelx_shelxl_version_number     2018/3
_chemical_oxdiff_formula         'C104 H120 N8 O8 Pt4 Se4'
_chemical_oxdiff_usercomment     'from Pavel'
_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.
;
_shelx_estimated_absorpt_t_max   0.708
_shelx_estimated_absorpt_t_min   0.438
_diffrn_oxdiff_digest_frames
;
01ec5925b977eebae8bafd4f98df65cdef000444d02
;
_diffrn_oxdiff_digest_hkl
;
01c48ef145a6836ef27b52b53143972c040fdd
;
_reflns_odcompleteness_completeness 99.20
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     77.49
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H) groups, All C(H,H,H) groups
2.a Riding coordinates:
 C6'(H6'A,H6'B), C8'(H8'A,H8'B), C1S(H1SA,H1SB)
2.b Me refined with riding coordinates:
 C7'(H7'A,H7'B,H7'C), C9'(H9'A,H9'B,H9'C)
2.c Aromatic/amide H refined with riding coordinates:
 C4(H4), C5(H5), C6(H6), C7(H7), C12(H12), C13(H13), C14(H14), C15(H15),
 C3'(H3')
;
_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 2.548
_oxdiff_exptl_absorpt_empirical_full_min 0.572
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z'
'x+1/2, -y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -y-1/2, z'
'-x-1/2, y-1/2, z-1/2'
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
Pt1 Pt 0.58841(2) 0.750000 0.59323(2) 0.01462(11) Uani 1 2 d S T P . .
Se1 Se 0.52425(2) 0.750000 0.84437(5) 0.02458(16) Uani 1 2 d S T P . .
C2 C 0.53865(15) 0.750000 0.6700(5) 0.0184(10) Uani 1 2 d S T P . .
C3 C 0.50770(17) 0.750000 0.5891(5) 0.0172(11) Uani 1 2 d S T P . .
C4 C 0.43422(17) 0.750000 0.5983(5) 0.0233(12) Uani 1 2 d S T P . .
H4 H 0.431312 0.750000 0.508893 0.028 Uiso 1 2 calc RS T P . .
C5 C 0.40256(17) 0.750000 0.6772(7) 0.0261(12) Uani 1 2 d S T P . .
H5 H 0.378596 0.750000 0.639945 0.031 Uiso 1 2 calc RS T P . .
C6 C 0.40600(17) 0.750000 0.8108(7) 0.0268(13) Uani 1 2 d S T P . .
H6 H 0.384388 0.750000 0.862168 0.032 Uiso 1 2 calc RS T P . .
C7 C 0.44176(17) 0.750000 0.8688(6) 0.0260(11) Uani 1 2 d S T P . .
H7 H 0.444380 0.750000 0.958351 0.031 Uiso 1 2 calc RS T P . .
C8 C 0.47320(16) 0.750000 0.7885(6) 0.0223(11) Uani 1 2 d S T P . .
C9 C 0.47060(15) 0.750000 0.6521(5) 0.0188(10) Uani 1 2 d S T P . .
C10 C 0.51840(14) 0.750000 0.4529(5) 0.0139(9) Uani 1 2 d S T P . .
N11 N 0.55668(13) 0.750000 0.4345(4) 0.0155(8) Uani 1 2 d S T P . .
C12 C 0.57111(15) 0.750000 0.3130(5) 0.0198(10) Uani 1 2 d S T P . .
H12 H 0.597261 0.750000 0.302704 0.024 Uiso 1 2 calc RS T P . .
C13 C 0.54890(17) 0.750000 0.2052(5) 0.0233(11) Uani 1 2 d S T P . .
H13 H 0.559569 0.750000 0.122955 0.028 Uiso 1 2 calc RS T P . .
C14 C 0.51005(17) 0.750000 0.2215(6) 0.0260(12) Uani 1 2 d S T P . .
H14 H 0.494284 0.750000 0.149492 0.031 Uiso 1 2 calc RS T P . .
C15 C 0.49464(16) 0.750000 0.3431(5) 0.0222(11) Uani 1 2 d S T P . .
H15 H 0.468484 0.750000 0.353391 0.027 Uiso 1 2 calc RS T P . .
C1' C 0.70401(15) 0.750000 0.4468(6) 0.0207(10) Uani 1 2 d S T P . .
C2' C 0.67162(15) 0.750000 0.5449(5) 0.0178(10) Uani 1 2 d S T P . .
C3' C 0.67817(15) 0.750000 0.6775(5) 0.0190(10) Uani 1 2 d S T P . .
H3' H 0.703423 0.750000 0.702857 0.023 Uiso 1 2 calc RS T P . .
C4' C 0.65154(16) 0.750000 0.7773(5) 0.0186(10) Uani 1 2 d S T P . .
C5' C 0.66395(17) 0.750000 0.9189(5) 0.0197(11) Uani 1 2 d S T P . .
O2' O 0.63890(10) 0.750000 0.4923(4) 0.0219(8) Uani 1 2 d S T P . .
O4' O 0.61523(10) 0.750000 0.7620(3) 0.0192(7) Uani 1 2 d S T P . .
C6' C 0.74338(16) 0.750000 0.5095(6) 0.0272(12) Uani 1 2 d S T P . .
H6'A H 0.762412 0.750000 0.443270 0.041 Uiso 1 2 d RS T P . .
H6'B H 0.746162 0.864560 0.562270 0.041 Uiso 1 1 d R . . . .
C7' C 0.69984(12) 0.5664(7) 0.3620(4) 0.0296(9) Uani 1 1 d . . . . .
H7'A H 0.719896 0.563035 0.299367 0.044 Uiso 1 1 calc R . . . .
H7'B H 0.701126 0.451931 0.415434 0.044 Uiso 1 1 calc R . . . .
H7'C H 0.675886 0.569873 0.318167 0.044 Uiso 1 1 calc R . . . .
C8' C 0.70661(18) 0.750000 0.9392(7) 0.0336(14) Uani 1 2 d S T P . .
H8'A H 0.712129 0.750000 1.030118 0.050 Uiso 1 2 d RS T P . .
H8'B H 0.717309 0.864560 0.900007 0.050 Uiso 1 1 d R . . . .
C9' C 0.64689(14) 0.5681(8) 0.9840(4) 0.0392(11) Uani 1 1 d . . . . .
H9'A H 0.619972 0.567433 0.971443 0.059 Uiso 1 1 calc R . . . .
H9'B H 0.657656 0.452597 0.946282 0.059 Uiso 1 1 calc R . . . .
H9'C H 0.652405 0.570886 1.074897 0.059 Uiso 1 1 calc R . . . .
C1S C 0.6403(2) 0.250000 0.6593(8) 0.0425(17) Uani 1 2 d S T P . .
H1SA H 0.628079 0.250000 0.739139 0.064 Uiso 1 2 d RS T P . .
H1SB H 0.633519 0.135440 0.609139 0.064 Uiso 1 1 d R . . . .
C2S C 0.6804(2) 0.250000 0.6760(7) 0.0335(14) Uani 1 2 d S T P . .
N1S N 0.71277(19) 0.250000 0.6876(7) 0.0458(15) Uani 1 2 d S T P . .
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'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -4.5932 6.9264 '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'
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 Pt1 N11 79.9(2) . . ?
C2 Pt1 O2' 173.95(19) . . ?
C2 Pt1 O4' 94.22(19) . . ?
N11 Pt1 O2' 94.01(16) . . ?
O4' Pt1 N11 174.16(16) . . ?
O4' Pt1 O2' 91.83(15) . . ?
C2 Se1 C8 88.0(2) . . ?
Se1 C2 Pt1 130.0(3) . . ?
C3 C2 Pt1 118.3(4) . . ?
C3 C2 Se1 111.6(4) . . ?
C2 C3 C9 116.2(5) . . ?
C2 C3 C10 112.4(5) . . ?
C10 C3 C9 131.4(5) . . ?
C5 C4 H4 119.7 . . ?
C5 C4 C9 120.5(5) . . ?
C9 C4 H4 119.7 . . ?
C4 C5 H5 119.5 . . ?
C4 C5 C6 121.1(6) . . ?
C6 C5 H5 119.5 . . ?
C5 C6 H6 119.8 . . ?
C5 C6 C7 120.4(5) . . ?
C7 C6 H6 119.8 . . ?
C6 C7 H7 121.1 . . ?
C8 C7 C6 117.8(6) . . ?
C8 C7 H7 121.1 . . ?
C7 C8 Se1 125.4(5) . . ?
C7 C8 C9 123.1(5) . . ?
C9 C8 Se1 111.5(4) . . ?
C4 C9 C3 130.2(5) . . ?
C4 C9 C8 117.1(5) . . ?
C8 C9 C3 112.7(5) . . ?
N11 C10 C3 113.0(5) . . ?
N11 C10 C15 118.5(5) . . ?
C15 C10 C3 128.5(5) . . ?
C10 N11 Pt1 116.3(4) . . ?
C12 N11 Pt1 123.6(4) . . ?
C12 N11 C10 120.1(5) . . ?
N11 C12 H12 118.6 . . ?
N11 C12 C13 122.8(5) . . ?
C13 C12 H12 118.6 . . ?
C12 C13 H13 120.9 . . ?
C12 C13 C14 118.1(5) . . ?
C14 C13 H13 120.9 . . ?
C13 C14 H14 119.8 . . ?
C15 C14 C13 120.4(5) . . ?
C15 C14 H14 119.8 . . ?
C10 C15 H15 120.0 . . ?
C14 C15 C10 120.1(5) . . ?
C14 C15 H15 120.0 . . ?
C2' C1' C6' 113.4(5) . . ?
C2' C1' C7' 107.8(3) . 7_575 ?
C2' C1' C7' 107.8(3) . . ?
C6' C1' C7' 109.1(3) . 7_575 ?
C6' C1' C7' 109.1(3) . . ?
C7' C1' C7' 109.4(5) . 7_575 ?
C3' C2' C1' 122.0(5) . . ?
O2' C2' C1' 113.2(5) . . ?
O2' C2' C3' 124.8(5) . . ?
C2' C3' H3' 116.0 . . ?
C2' C3' C4' 128.0(5) . . ?
C4' C3' H3' 116.0 . . ?
C3' C4' C5' 121.0(5) . . ?
O4' C4' C3' 125.4(5) . . ?
O4' C4' C5' 113.7(5) . . ?
C4' C5' C9' 107.9(3) . . ?
C4' C5' C9' 107.9(3) . 7_575 ?
C8' C5' C4' 114.6(5) . . ?
C8' C5' C9' 109.1(3) . 7_575 ?
C8' C5' C9' 109.1(3) . . ?
C9' C5' C9' 108.0(5) . 7_575 ?
C2' O2' Pt1 124.5(3) . . ?
C4' O4' Pt1 125.5(3) . . ?
C1' C6' H6'A 109.5 . . ?
C1' C6' H6'B 109.44(15) . 7_575 ?
C1' C6' H6'B 109.4 . . ?
H6'A C6' H6'B 109.5 . . ?
H6'A C6' H6'B 109.5 . 7_575 ?
H6'B C6' H6'B 109.5 . 7_575 ?
C1' C7' H7'A 109.5 . . ?
C1' C7' H7'B 109.5 . . ?
C1' C7' H7'C 109.5 . . ?
H7'A C7' H7'B 109.5 . . ?
H7'A C7' H7'C 109.5 . . ?
H7'B C7' H7'C 109.5 . . ?
C5' C8' H8'A 109.7 . . ?
C5' C8' H8'B 109.4 . . ?
C5' C8' H8'B 109.36(16) . 7_575 ?
H8'A C8' H8'B 109.5 . . ?
H8'A C8' H8'B 109.5 . 7_575 ?
H8'B C8' H8'B 109.5 . 7_575 ?
C5' C9' H9'A 109.5 . . ?
C5' C9' H9'B 109.5 . . ?
C5' C9' H9'C 109.5 . . ?
H9'A C9' H9'B 109.5 . . ?
H9'A C9' H9'C 109.5 . . ?
H9'B C9' H9'C 109.5 . . ?
H1SA C1S H1SB 111.1 . . ?
H1SA C1S H1SB 111.1 . 7_565 ?
H1SB C1S H1SB 107.9 . 7_565 ?
C2S C1S H1SA 110.6 . . ?
C2S C1S H1SB 108.0(2) . 7_565 ?
C2S C1S H1SB 108.0 . . ?
N1S C2S C1S 179.0(8) . . ?
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
Pt1 C2 1.929(5) . ?
Pt1 N11 1.987(5) . ?
Pt1 O2' 2.067(4) . ?
Pt1 O4' 1.985(4) . ?
Se1 C2 1.874(5) . ?
Se1 C8 1.894(6) . ?
C2 C3 1.376(8) . ?
C3 C9 1.463(7) . ?
C3 C10 1.458(7) . ?
C4 H4 0.9300 . ?
C4 C5 1.384(8) . ?
C4 C9 1.400(8) . ?
C5 H5 0.9300 . ?
C5 C6 1.387(10) . ?
C6 H6 0.9300 . ?
C6 C7 1.399(9) . ?
C7 H7 0.9300 . ?
C7 C8 1.387(8) . ?
C8 C9 1.413(8) . ?
C10 N11 1.366(6) . ?
C10 C15 1.412(7) . ?
N11 C12 1.356(7) . ?
C12 H12 0.9300 . ?
C12 C13 1.363(8) . ?
C13 H13 0.9300 . ?
C13 C14 1.383(9) . ?
C14 H14 0.9300 . ?
C14 C15 1.370(9) . ?
C15 H15 0.9300 . ?
C1' C2' 1.529(7) . ?
C1' C6' 1.535(8) . ?
C1' C7' 1.539(5) . ?
C1' C7' 1.539(5) 7_575 ?
C2' C3' 1.390(8) . ?
C2' O2' 1.278(7) . ?
C3' H3' 0.9300 . ?
C3' C4' 1.396(7) . ?
C4' C5' 1.528(7) . ?
C4' O4' 1.292(7) . ?
C5' C8' 1.522(8) . ?
C5' C9' 1.538(6) 7_575 ?
C5' C9' 1.538(6) . ?
C6' H6'A 0.9598 . ?
C6' H6'B 0.9599 . ?
C6' H6'B 0.9599 7_575 ?
C7' H7'A 0.9600 . ?
C7' H7'B 0.9600 . ?
C7' H7'C 0.9600 . ?
C8' H8'A 0.9598 . ?
C8' H8'B 0.9600 . ?
C8' H8'B 0.9600 7_575 ?
C9' H9'A 0.9600 . ?
C9' H9'B 0.9600 . ?
C9' H9'C 0.9600 . ?
C1S H1SA 0.9313 . ?
C1S H1SB 0.9697 . ?
C1S H1SB 0.9697 7_565 ?
C1S C2S 1.429(11) . ?
C2S N1S 1.148(10) . ?
