Design and controlled emission properties of bioorganometallic compounds composed of uracils and organoplatinum(ii) moieties.
Moriuchi, Toshiyuki; Sakamoto, Yuki; Noguchi, Shunichi; Fujiwara, Takashi; Akine, Shigehisa; Nabeshima, Tatsuya; Hirao, Toshikazu; Dalton transactions (Cambridge, England : 2003) 41 (2012) 8524–8531; doi:10.1039/c2dt30533j

data_7019515
_publ_section_title
;
 Design and controlled emission properties of bioorganometallic compounds
 composed of uracils and organoplatinum(ii) moieties.
;
_journal_issue                   28
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              8524
_journal_page_last               8531
_journal_paper_doi               10.1039/c2dt30533j
_journal_volume                  41
_journal_year                    2012
_chemical_formula_moiety         'C38.50 H47 Cl N4 O3 Pt'
_chemical_formula_sum            'C38.5 H47 Cl N4 O3 Pt'
_chemical_formula_weight         844.36
_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'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                89.7533(9)
_cell_angle_beta                 88.4541(9)
_cell_angle_gamma                83.7668(9)
_cell_formula_units_Z            4
_cell_length_a                   12.1080(4)
_cell_length_b                   14.5494(5)
_cell_length_c                   20.4353(7)
_cell_measurement_reflns_used    24148
_cell_measurement_temperature    123
_cell_measurement_theta_max      27.45
_cell_measurement_theta_min      2.99
_cell_volume                     3577.4(2)
_computing_cell_refinement       'RAPID AUTO'
_computing_data_collection       'RAPID AUTO (Rigaku, ????)'
_computing_data_reduction        'RAPID AUTO'
_computing_molecular_graphics    'CrystalStructure 4.0'
_computing_publication_material  'CrystalStructure 4.0 (Rigaku, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    SIR97
_diffrn_ambient_temperature      123
_diffrn_detector_area_resol_mean 10.000
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0785
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            35082
_diffrn_reflns_theta_full        27.45
_diffrn_reflns_theta_max         27.45
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    4.024
_exptl_absorpt_correction_T_max  0.923
_exptl_absorpt_correction_T_min  0.258
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'ABSCOR (Rigaku, 1995)'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.568
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             1700.00
_exptl_crystal_size_max          0.500
_exptl_crystal_size_mid          0.170
_exptl_crystal_size_min          0.020
_refine_diff_density_max         3.670
_refine_diff_density_min         -3.570
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.126
_refine_ls_hydrogen_treatment    mixed
_refine_ls_number_parameters     726
_refine_ls_number_reflns         16181
_refine_ls_number_restraints     265
_refine_ls_R_factor_gt           0.0646
_refine_ls_shift/su_max          0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0970P)^2^+13.4193P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.2142
_reflns_number_gt                10924
_reflns_number_total             16181
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            c2dt30533j.txt
_cod_data_source_block           PtU6
_cod_original_formula_sum        'C38.50 H47 Cl N4 O3 Pt'
_cod_database_code               7019515