Influence of Ancillary Ligands and Isomerism on the Luminescence of Bis-cyclometalated Platinum(IV) Complexes.
Juliá, Fabio; García-Legaz, María-Dulce; Bautista, Delia; González-Herrero, Pablo; Inorganic chemistry 55 (2016) 7647–7660; doi:10.1021/acs.inorgchem.6b01100

data_4348300
_publ_section_title
;
 Influence of Ancillary Ligands and Isomerism on the Luminescence of
 Bis-cyclometalated Platinum(IV) Complexes.
;
_journal_issue                   15
_journal_name_full               'Inorganic chemistry'
_journal_page_first              7647
_journal_page_last               7660
_journal_paper_doi               10.1021/acs.inorgchem.6b01100
_journal_volume                  55
_journal_year                    2016
_chemical_formula_sum            'C23 H19 Br N2 Pt'
_chemical_formula_weight         598.40
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
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_cell_length_c                   15.6904(15)
_cell_measurement_reflns_used    9491
_cell_measurement_temperature    100(2)
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_cell_volume                     1903.0(3)
_computing_cell_refinement       'SAINT V8.34A (Bruker AXS Inc., 2011)'
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_diffrn_ambient_temperature      100(2)
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_diffrn_measurement_device_type  'Bruker D8 QUEST'
_diffrn_measurement_method       '\w-scans and phi scans'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_limit_h_max       12
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_diffrn_reflns_limit_l_min       -22
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_diffrn_source                   'high brilliance microfocus sealed tube '
_exptl_absorpt_coefficient_mu    9.483
_exptl_absorpt_correction_T_max  0.6478
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_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colourless
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_refine_ls_extinction_method     none
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_refine_ls_number_reflns         5835
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.152
_refine_ls_R_factor_all          0.0294
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0124P)^2^+3.0862P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0419
_refine_ls_wR_factor_ref         0.0432
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5203
_reflns_number_total             5835
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ic6b01100_si_002.cif
_cod_data_source_block           faf102_b_0m
_cod_depositor_comments
;
The following automatic conversions were performed:

data name '__diffrn_radiation_type' was replaced with
'_diffrn_radiation_type'.

Automatic conversion script
Id: cif_correct_tags 6909 2019-04-08 15:41:33Z antanas 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4348300
_shelx_shelxl_version_number     2014/7
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_shelx_estimated_absorpt_t_max   0.703
_shelx_res_checksum              55392
_shelx_hkl_checksum              56471