Phosphorescent, Cyclometalated Cinchophen-Derived Platinum Complexes: Syntheses, Structures, and Electronic Properties.
Stacey, Oliver J.; Platts, James A.; Coles, Simon J.; Horton, Peter N.; Pope, Simon J. A.; Inorganic chemistry 54 (2015) 6528–6536; doi:10.1021/acs.inorgchem.5b00817

data_4343384
_publ_section_title
;
 Phosphorescent, Cyclometalated Cinchophen-Derived Platinum Complexes:
 Syntheses, Structures, and Electronic Properties.
;
_journal_issue                   13
_journal_name_full               'Inorganic chemistry'
_journal_page_first              6528
_journal_page_last               6536
_journal_paper_doi               10.1021/acs.inorgchem.5b00817
_journal_volume                  54
_journal_year                    2015
_chemical_formula_moiety         'C28 H22 N3 O2 Pt, F6 P'
_chemical_formula_sum            'C28 H22 F6 N3 O2 P Pt'
_chemical_formula_weight         772.54
_chemical_name_systematic
;
 ?
;
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_space_group_name_Hall           '-I 2ya'
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_symmetry_space_group_name_Hall  '-I 2ya'
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CrysAlisPro, Agilent Technologies,
Version 1.171.37.31 (release 14-01-2014 CrysAlis171 .NET)
(compiled Jan 14 2014,18:38:05)
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Rigaku CrystalClear-SM Expert 3.1 b27
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CrysAlisPro, Agilent Technologies,
Version 1.171.37.31 (release 14-01-2014 CrysAlis171 .NET)
(compiled Jan 14 2014,18:38:05)
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_diffrn_measured_fraction_theta_max 0.916
_diffrn_measurement_device       'four-circle \k goniometer'
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_diffrn_radiation_collimation    'Confocal mirrors, HF Varimax '
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.1164
_diffrn_reflns_av_unetI/netI     0.1159
_diffrn_reflns_laue_measured_fraction_full 0.999
_diffrn_reflns_laue_measured_fraction_max 0.916
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_diffrn_reflns_point_group_measured_fraction_full 0.999
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_diffrn_reflns_theta_min         2.445
_diffrn_source                   'Rotating Anode'
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_exptl_absorpt_coefficient_mu    5.638
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_exptl_absorpt_correction_T_min  0.80453
_exptl_absorpt_correction_type   multi-scan
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;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.31 (release 14-01-2014 CrysAlis171 .NET)
(compiled Jan 14 2014,18:38:05)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            Orange
_exptl_crystal_density_diffrn    2.010
_exptl_crystal_description       Needle
_exptl_crystal_F_000             2992
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_exptl_crystal_size_mid          0.010
_exptl_crystal_size_min          0.010
_refine_diff_density_max         1.491
_refine_diff_density_min         -1.362
_refine_diff_density_rms         0.225
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.984
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     435
_refine_ls_number_reflns         6799
_refine_ls_number_restraints     339
_refine_ls_restrained_S_all      0.999
_refine_ls_R_factor_all          0.0988
_refine_ls_R_factor_gt           0.0531
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0401P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0900
_refine_ls_wR_factor_ref         0.1034
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4585
_reflns_number_total             6799
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ic5b00817_si_002.cif
_cod_data_source_block           Pt(L1)(bpy)(PF6)
_cod_depositor_comments
'Adding full bibliography for 4343382--4343384.cif.'
_cod_database_code               4343384
_shelx_estimated_absorpt_t_min   0.728
_shelx_estimated_absorpt_t_max   0.946
_shelxl_version_number           2013-4
_shelx_res_checksum              22712
_shelx_hkl_checksum              1905