Luminescent ionic liquids based on cyclometalated platinum(ii) complexes exhibiting thermochromic behaviour in different colour regions.
Ogawa, Tomohiro; Sameera, W. M. C.; Yoshida, Masaki; Kobayashi, Atsushi; Kato, Masako; Dalton transactions (Cambridge, England : 2003) 47 (2018) 5589–5594; doi:10.1039/c8dt00651b

data_7045828
_publ_section_title
;
 Luminescent ionic liquids based on cyclometalated platinum(ii) complexes
 exhibiting thermochromic behaviour in different colour regions.
;
_journal_issue                   16
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5589
_journal_page_last               5594
_journal_paper_doi               10.1039/c8dt00651b
_journal_volume                  47
_journal_year                    2018
_chemical_formula_moiety         'C12 H9 K N4 O0.5 Pt'
_chemical_formula_sum            'C12 H9 K N4 O0.5 Pt'
_chemical_formula_weight         451.42
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_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
_audit_update_record
;
2018-01-12 deposited with the CCDC.
2018-03-09 downloaded from the CCDC.
;
_cell_angle_alpha                109.731(2)
_cell_angle_beta                 94.688(2)
_cell_angle_gamma                90.344(3)
_cell_formula_units_Z            8
_cell_length_a                   8.4004(13)
_cell_length_b                   16.506(3)
_cell_length_c                   20.116(4)
_cell_measurement_reflns_used    7155
_cell_measurement_temperature    200
_cell_measurement_theta_max      27.50
_cell_measurement_theta_min      3.00
_cell_volume                     2615.0(8)
_computing_cell_refinement       'CrystalClear-SM Expert 2.0 r16'
_computing_data_collection
'CrystalClear-SM Expert 2.0 r16 (Rigaku, 2013)'
_computing_data_reduction        'CrystalClear-SM Expert 2.0 r16'
_computing_molecular_graphics    'CrystalStructure 4.2'
_computing_publication_material  'CrystalStructure 4.2 (Rigaku, 2017)'
_computing_structure_refinement  'SHELXL Version 2014/3 (Sheldrick, 2008)'
_computing_structure_solution    'SIR2011 (Burla, et al., 2012)'
_diffrn_ambient_temperature      200
_diffrn_detector_area_resol_mean 7.314
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type  'Rigaku Mercury70'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0346
_diffrn_reflns_Laue_measured_fraction_full 0.989
_diffrn_reflns_Laue_measured_fraction_max 0.985
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            21080
_diffrn_reflns_point_group_measured_fraction_full 0.989
_diffrn_reflns_point_group_measured_fraction_max 0.985
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.489
_diffrn_reflns_theta_min         3.013
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    10.998
_exptl_absorpt_correction_T_max  0.577
_exptl_absorpt_correction_T_min  0.281
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'NUMABS (Rigaku, 1999)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.293
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             1680.00
_exptl_crystal_size_max          0.120
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.050
_refine_diff_density_max         2.09
_refine_diff_density_min         -2.27
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     667
_refine_ls_number_reflns         11795
_refine_ls_number_restraints     30
_refine_ls_R_factor_all          0.0609
_refine_ls_R_factor_gt           0.0457
_refine_ls_shift/su_max          0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0532P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1089
_refine_ls_wR_factor_ref         0.1176
_reflns_Friedel_coverage         0.000
_reflns_number_gt                9064
_reflns_number_total             11795
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            c8dt00651b2.cif
_cod_data_source_block           170919_KPtmpi
_cod_depositor_comments          'Adding full bibliography for 7045828.cif.'
_cod_database_code               7045828
_shelxl_version_number           2014-3
_shelx_res_checksum              73982