‘Optimized route’ to synthesize isoelectronic and isostructural Au(iii)- and Pt(ii)-NHC complexes: synthesis, structure, spectral properties, electrochemistry, and molecular docking studies
Maity, Lakshmikanta; Barik, Sahadev; Kisan, Hemanta K.; Jana, Abhimanyu; Isab, Anvarhusein A.; Dinda, Joydev; New Journal of Chemistry 47 (2023) 284–296; doi:10.1039/D2NJ03661D

data_7062138
_publ_section_title
;
 &#x2018;Optimized route&#x2019; to synthesize isoelectronic and
 isostructural Au(iii)- and Pt(ii)-NHC complexes: synthesis, structure,
 spectral properties, electrochemistry, and molecular docking studies
;
_journal_issue                   1
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              284
_journal_page_last               296
_journal_paper_doi               10.1039/D2NJ03661D
_journal_volume                  47
_journal_year                    2023
_chemical_formula_sum            'C30 H29 F12 N7 P2 Pt'
_chemical_formula_weight         972.63
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_space_group_name_Hall           '-C 2yc'
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_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2022-07-04 deposited with the CCDC.	2022-11-18 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_computing_cell_refinement       'Bruker SAINT'
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_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
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_diffrn_measured_fraction_theta_max 0.912
_diffrn_measurement_device_type  'Bruker Apex II'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           CuK\a
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_diffrn_reflns_av_R_equivalents  0.0523
_diffrn_reflns_av_unetI/netI     0.0263
_diffrn_reflns_Laue_measured_fraction_full 0.963
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_diffrn_reflns_limit_l_min       -13
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_diffrn_reflns_point_group_measured_fraction_max 0.912
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_diffrn_reflns_theta_max         76.747
_diffrn_reflns_theta_min         7.304
_exptl_absorpt_coefficient_mu    9.320
_exptl_absorpt_correction_T_max  0.141
_exptl_absorpt_correction_T_min  0.116
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2)
;
_exptl_crystal_colour            colourles
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_exptl_crystal_size_min          0.210
_refine_diff_density_max         1.043
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_refine_ls_extinction_method     none
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_refine_ls_R_factor_all          0.0396
_refine_ls_R_factor_gt           0.0382
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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^)+(0.0583P)^2^+14.3473P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1020
_refine_ls_wR_factor_ref         0.1034
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3187
_reflns_number_total             3355
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d2nj03661d2.cif
_cod_data_source_block           shelx_CCDC1
_cod_depositor_comments
'Adding full bibliography for 7062137--7062138.cif.'
_cod_original_cell_volume        3479.2(7)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7062138
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.154
_shelx_estimated_absorpt_t_max   0.245
_shelx_res_checksum              17185