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_7015097
_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         'C17 H21 N7 O3 S2 '
_chemical_formula_sum            'C17 H21 N7 O3 S2'
_chemical_formula_weight         435.52
_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                97.378(8)
_cell_angle_beta                 103.656(17)
_cell_angle_gamma                94.000(11)
_cell_formula_units_Z            2
_cell_length_a                   6.809(5)
_cell_length_b                   12.003(9)
_cell_length_c                   12.379(10)
_cell_measurement_reflns_used    2246
_cell_measurement_temperature    120.1
_cell_measurement_theta_max      29.2
_cell_measurement_theta_min      1.7
_cell_volume                     969.7(13)
_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      120.1
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.665
_diffrn_measured_fraction_theta_max 0.665
_diffrn_measurement_device_type  'Rigaku Mercury'
_diffrn_measurement_method       \w
_diffrn_radiation_type           Synchrotron
_diffrn_radiation_wavelength     0.68900
_diffrn_reflns_av_R_equivalents  0.069
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            6338
_diffrn_reflns_theta_full        29.25
_diffrn_reflns_theta_max         29.25
_exptl_absorpt_coefficient_mu    0.000
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.301
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.492
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             456.00
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.03
_exptl_crystal_size_min          0.03
_refine_diff_density_max         1.48
_refine_diff_density_min         -0.72
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.997
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     263
_refine_ls_number_reflns         3843
_refine_ls_R_factor_gt           0.0905
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.1716P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.2767
_reflns_number_gt                2110
_reflns_number_total             3843
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            c0dt01139h.txt
_cod_data_source_block           '__FL-TSCZ-c'
_cod_original_formula_sum        'C17 H21 N7 O3 S2 '
_cod_database_code               7015097