trans-Platinum(II) complex of 3-aminoflavone - synthesis, X-ray crystal structure and biological activities in vitro.
Fabijańska, Małgorzata; Studzian, Kazimierz; Szmigiero, Leszek; Rybarczyk-Pirek, Agnieszka J; Pfitzner, Arno; Cebula-Obrzut, Barbara; Smolewski, Piotr; Zyner, Elżbieta; Ochocki, Justyn; Dalton transactions (Cambridge, England : 2003) 44 (2015) 938–947; doi:10.1039/c4dt01501k

data_7031809
_publ_section_title
;
 trans-Platinum(II) complex of 3-aminoflavone - synthesis, X-ray crystal
 structure and biological activities in vitro.
;
_journal_issue                   3
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              938
_journal_page_last               947
_journal_paper_doi               10.1039/c4dt01501k
_journal_volume                  44
_journal_year                    2015
_chemical_formula_sum            'C30 H22 Cl2 N2 O4 Pt'
_chemical_formula_weight         740.49
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_date             2011-02-04T10:52:55-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                85.511(7)
_cell_angle_beta                 87.997(6)
_cell_angle_gamma                77.091(7)
_cell_formula_units_Z            1
_cell_length_a                   6.9226(4)
_cell_length_b                   9.2809(8)
_cell_length_c                   11.0038(9)
_cell_measurement_temperature    123(2)
_cell_volume                     686.88(9)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      123(2)
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.982
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0
_diffrn_reflns_av_unetI/netI     0.0434
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            2143
_diffrn_reflns_theta_full        62.45
_diffrn_reflns_theta_max         62.45
_diffrn_reflns_theta_min         4.03
_exptl_absorpt_coefficient_mu    11.669
_exptl_absorpt_correction_T_max  1.0618
_exptl_absorpt_correction_T_min  0.6745
_exptl_absorpt_correction_type   refdelf
_exptl_absorpt_process_details
;
Parkin S,Moezzi B & Hope H, (1995) J. Appl. Cryst. 28, 53-56
Cubic fit to sin(theta)/lambda - 24 parameters
;
_exptl_crystal_density_diffrn    1.79
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             360
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.315
_refine_diff_density_min         -1.783
_refine_diff_density_rms         0.168
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.144
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     178
_refine_ls_number_reflns         2143
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.144
_refine_ls_R_factor_all          0.0347
_refine_ls_R_factor_gt           0.0309
_refine_ls_shift/su_max          0
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0385P)^2^+2.2388P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0742
_refine_ls_wR_factor_ref         0.0811
_reflns_number_gt                2068
_reflns_number_total             2143
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4dt01501k2.cif
_cod_data_source_block           publg271
_cod_depositor_comments          'Adding full bibliography for 7031809.cif.'
_cod_database_code               7031809