Ligand Based Dual Fluorescence and Phosphorescence Emission from BODIPY Platinum Complexes and Its Application to Ratiometric Singlet Oxygen Detection.
Geist, Fabian; Jackel, Andrej; Winter, Rainer F.; Inorganic chemistry 54 (2015) 10946–10957; doi:10.1021/acs.inorgchem.5b01969

data_4344434
_publ_section_title
;
 Ligand Based Dual Fluorescence and Phosphorescence Emission from BODIPY
 Platinum Complexes and Its Application to Ratiometric Singlet Oxygen
 Detection.
;
_journal_issue                   22
_journal_name_full               'Inorganic chemistry'
_journal_page_first              10946
_journal_page_last               10957
_journal_paper_doi               10.1021/acs.inorgchem.5b01969
_journal_volume                  54
_journal_year                    2015
_chemical_formula_moiety         'C21 H36 B Br F2 N2 P2 Pt'
_chemical_formula_sum            'C21 H36 B Br F2 N2 P2 Pt'
_chemical_formula_weight         702.27
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/a 1'
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_atom_sites_solution_hydrogens   geom
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_cell_angle_alpha                90
_cell_angle_beta                 94.532(3)
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_cell_length_a                   17.3407(6)
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_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.23
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_cell_volume                     5162.9(3)
_computing_cell_refinement       'STOE X-AREA'
_computing_data_collection       'STOE X-AREA'
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_computing_molecular_graphics    'ORTEP (Johnson, 1965)'
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_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
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_diffrn_reflns_number            72154
_diffrn_reflns_point_group_measured_fraction_full 1.000
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_diffrn_source                   'sealed X-ray tube'
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_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.807
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2736
_exptl_crystal_size_max          0.400
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_refine_ls_number_reflns         10983
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_refine_ls_R_factor_all          0.0713
_refine_ls_R_factor_gt           0.0595
_refine_ls_shift/su_max          0.009
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+159.3504P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_refine_ls_wR_factor_ref         0.1408
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_reflns_number_total             10983
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_depositor_comments
'Adding full bibliography for 4344433--4344435.cif.'
_cod_database_code               4344434
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