Synthesis, structure and photophysical properties of a flavin-based platinum(II) complex.
Kobayashi, Atsushi; Ohbayashi, Korin; Aoki, Rie; Chang, Ho-Chol; Kato, Masako; Dalton transactions (Cambridge, England : 2003) 40 (2011) 3484–3489; doi:10.1039/c0dt01139h

data_7015098
_publ_section_title
;
 Synthesis, structure and photophysical properties of a flavin-based
 platinum(II) complex.
;
_journal_issue                   14
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3484
_journal_page_last               3489
_journal_paper_doi               10.1039/c0dt01139h
_journal_volume                  40
_journal_year                    2011
_chemical_formula_moiety         'C54 H82 N20 O10 Pt S2 '
_chemical_formula_sum            'C54 H82 N20 O10 Pt S2'
_chemical_formula_weight         1430.58
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                66.845(14)
_cell_angle_beta                 74.010(16)
_cell_angle_gamma                70.156(13)
_cell_formula_units_Z            1
_cell_length_a                   10.022(3)
_cell_length_b                   12.041(4)
_cell_length_c                   15.252(4)
_cell_measurement_reflns_used    6162
_cell_measurement_temperature    150.1
_cell_measurement_theta_max      30.2
_cell_measurement_theta_min      2.2
_cell_volume                     1570.2(8)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  SHELXL
_computing_structure_solution    SIR2004
_diffrn_ambient_temperature      150.1
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.900
_diffrn_measured_fraction_theta_max 0.900
_diffrn_measurement_device_type  'Rigaku Mercury'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.044
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            26983
_diffrn_reflns_theta_full        30.29
_diffrn_reflns_theta_max         30.29
_exptl_absorpt_coefficient_mu    2.364
_exptl_absorpt_correction_T_max  0.789
_exptl_absorpt_correction_T_min  0.300
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details
;
Higashi, T. (1999). Program for Absorption Correction.
Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.513
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       chip
_exptl_crystal_F_000             736.00
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_refine_diff_density_max         2.17
_refine_diff_density_min         -2.50
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     395
_refine_ls_number_reflns         8470
_refine_ls_R_factor_gt           0.0412
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0702P)^2^+0.8701P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1050
_reflns_number_gt                8424
_reflns_number_total             8470
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            c0dt01139h.txt
_cod_data_source_block           '__KO0206-a'
_cod_original_formula_sum        'C54 H82 N20 O10 Pt S2 '
_cod_database_code               7015098