Two platinum(ii) complexes with a 4-phenyl-4H-1,2,4-triazole derivative as an ancillary ligand for efficient green OLEDs.
Lu, Guang-Zhao; Tu, Zhen-Long; Liu, Liang; Zheng, You-Xuan; Zhao, Yue; Dalton transactions (Cambridge, England : 2003) 48 (2019) 1892–1899; doi:10.1039/c8dt04750b

data_7048654
_publ_section_title
;
 Two platinum(ii) complexes with a 4-phenyl-4H-1,2,4-triazole derivative
 as an ancillary ligand for efficient green OLEDs.
;
_journal_issue                   5
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1892
_journal_page_last               1899
_journal_paper_doi               10.1039/c8dt04750b
_journal_volume                  48
_journal_year                    2019
_chemical_formula_sum            'C32 H21 F3 N4 O Pt'
_chemical_formula_weight         729.62
_chemical_properties_physical    Air-sensitive,Oxygen-sensitive,Light-sensitive
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2018-12-21 deposited with the CCDC.
2018-12-28 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 94.039(6)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   6.4865(17)
_cell_length_b                   33.878(9)
_cell_length_c                   24.134(7)
_cell_measurement_reflns_used    4618
_cell_measurement_temperature    153.(2)
_cell_measurement_theta_max      23.6266
_cell_measurement_theta_min      2.5487
_cell_volume                     5290(3)
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_diffrn_ambient_temperature      153.(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker D8 VENTURE PHOTON 100'
_diffrn_radiation_monochromator  'Helios Multi-layer Optic'
_diffrn_radiation_type           ' Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1099
_diffrn_reflns_av_unetI/netI     0.1310
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -7
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_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        23.256
_diffrn_reflns_theta_max         23.256
_diffrn_reflns_theta_min         2.076
_diffrn_source                   TXS
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_exptl_absorpt_correction_T_max  0.29
_exptl_absorpt_correction_T_min  0.19
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 - Bruker AXS area detector scaling and absorption correction
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.832
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2832
_exptl_crystal_preparation       Luminescent
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_exptl_crystal_size_min          0.180
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_refine_ls_number_restraints     580
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_refine_ls_R_factor_all          0.1563
_refine_ls_R_factor_gt           0.0834
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+141.7116P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1502
_refine_ls_wR_factor_ref         0.1775
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4575
_reflns_number_total             7598
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c8dt04750b2.cif
_cod_data_source_block           20171010ZYX_PT_SDZ_0m
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Multi-Scan' changed to
'multi-scan' according to
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4973 2017-02-22 13:04:09Z antanas 

 Adding full bibliography for 7048654.cif.
;
_cod_original_cell_volume        5290(2)
_cod_database_code               7048654
_shelx_shelxl_version_number     2018/3
_shelx_res_checksum              68293