‘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_7062137
_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            'C36 H38 Au F18 N10 P3'
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_space_group_name_Hall           '-P 1'
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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.
;
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_cell_volume                     1164.9(3)
_computing_cell_refinement       'Bruker SAINT'
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_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
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_diffrn_ambient_temperature      295(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Bruker Apex II'
_diffrn_measurement_method       '\f and \w scans'
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_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0363
_diffrn_reflns_av_unetI/netI     0.0255
_diffrn_reflns_Laue_measured_fraction_full 0.992
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_diffrn_reflns_point_group_measured_fraction_max 0.992
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_diffrn_reflns_theta_max         25.460
_diffrn_reflns_theta_min         2.628
_exptl_absorpt_coefficient_mu    3.373
_exptl_absorpt_correction_T_max  0.603
_exptl_absorpt_correction_T_min  0.508
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2)
;
_exptl_crystal_colour            orange
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_exptl_crystal_description       Block
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_exptl_crystal_size_min          0.150
_refine_diff_density_max         1.063
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_refine_ls_extinction_method     none
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_refine_ls_R_factor_all          0.0287
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_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^)+(0.0639P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0777
_refine_ls_wR_factor_ref         0.0777
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4294
_reflns_number_total             4295
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_depositor_comments
'Adding full bibliography for 7062137--7062138.cif.'
_cod_database_code               7062137
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.538
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_shelx_res_checksum              38014