Solid-state emission enhancement in vaulted trans-bis(salicylaldiminato)platinum(ii) crystals with halogen functionality.
Komiya, Naruyoshi; Okada, Minoru; Fukumoto, Kanako; Iwata, Shotaro; Naota, Takeshi; Dalton transactions (Cambridge, England : 2003) 43 (2014) 10074–10085; doi:10.1039/c4dt00560k

data_7030812
_publ_section_title
;
 Solid-state emission enhancement in vaulted
 trans-bis(salicylaldiminato)platinum(ii) crystals with halogen
 functionality.
;
_journal_issue                   26
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              10074
_journal_page_last               10085
_journal_paper_doi               10.1039/c4dt00560k
_journal_volume                  43
_journal_year                    2014
_chemical_formula_moiety         'C26 H32 Cl2 N2 O2 Pt'
_chemical_formula_sum            'C26 H32 Cl2 N2 O2 Pt'
_chemical_formula_weight         670.55
_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                87.5780(19)
_cell_angle_beta                 87.8354(18)
_cell_angle_gamma                84.4992(18)
_cell_formula_units_Z            4
_cell_length_a                   10.5711(5)
_cell_length_b                   11.6286(6)
_cell_length_c                   20.5715(11)
_cell_measurement_reflns_used    41177
_cell_measurement_temperature    113
_cell_measurement_theta_max      27.45
_cell_measurement_theta_min      3.10
_cell_volume                     2513.5(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    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      113
_diffrn_detector_area_resol_mean 10.000
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_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  0.0548
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            49919
_diffrn_reflns_theta_full        27.44
_diffrn_reflns_theta_max         27.44
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    5.799
_exptl_absorpt_correction_T_max  0.314
_exptl_absorpt_correction_T_min  0.078
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'NUMABS (Rigaku, 1999)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.772
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1320.00
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.300
_exptl_crystal_size_min          0.200
_refine_diff_density_max         0.980
_refine_diff_density_min         -1.410
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     595
_refine_ls_number_reflns         11434
_refine_ls_number_restraints     0
_refine_ls_R_factor_gt           0.0220
_refine_ls_shift/su_max          0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0004P)^2^+3.1671P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0554
_reflns_number_gt                10626
_reflns_number_total             11434
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            c4dt00560k2.cif
_cod_data_source_block           3b
_cod_depositor_comments
'Adding full bibliography for 7030811--7030817.cif.'
_cod_original_cell_volume        2513.5(3)
_cod_database_code               7030812