Synthesis and characterization of Pt(II) and Au(I) complexes with <i>N</i>-oxy-heterocyclic carbene ligands (NOHCs).
Benin, Alice; Kollar, Joshua Immanuel; Riesebeck, Tim; Wurl, Felix; Graiff, Claudia; Strassner, Thomas; Tubaro, Cristina; Dalton transactions (Cambridge, England : 2003) 53 (2024) 9323–9329; doi:10.1039/d4dt00996g

data_7716049
_publ_section_title
;
 Synthesis and characterization of Pt(II) and Au(I) complexes with
 <i>N</i>-oxy-heterocyclic carbene ligands (NOHCs).
;
_journal_issue                   22
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              9323
_journal_page_last               9329
_journal_paper_doi               10.1039/d4dt00996g
_journal_volume                  53
_journal_year                    2024
_chemical_compound_source        'see text'
_chemical_formula_moiety         'C39 H40 N2 O3 Pt'
_chemical_formula_sum            'C39 H40 N2 O3 Pt'
_chemical_formula_weight         779.81
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     other
_audit_update_record
;
2023-07-06 deposited with the CCDC.	2024-04-26 downloaded from the CCDC.
;
_cell_angle_alpha                73.911(2)
_cell_angle_beta                 87.614(2)
_cell_angle_gamma                87.428(2)
_cell_formula_units_Z            2
_cell_length_a                   7.0873(4)
_cell_length_b                   15.5352(10)
_cell_length_c                   15.6123(10)
_cell_measurement_reflns_used    962
_cell_measurement_temperature    150
_cell_measurement_theta_max      33.055
_cell_measurement_theta_min      1.360
_cell_volume                     1649.20(18)
_computing_cell_refinement       'SAINT (Bruker)'
_computing_data_collection       'Bruker APEX3'
_computing_data_reduction        'SAINT (Bruker)'
_computing_publication_material  'PLATON (Spek, 2003)'
_computing_structure_refinement  'SHELXL-201n (Sheldrick, 2014)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      150
_diffrn_detector                 'Bruker Photon II detector'
_diffrn_detector_type            'Charge-Integrating Pixel Array Detector'
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker Photon II detector'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  Multilayer
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'sealed X-ray tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0314
_diffrn_reflns_av_unetI/netI     0.0071
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            234359
_diffrn_reflns_reduction_process
;
;
_diffrn_reflns_theta_full        25.24
_diffrn_reflns_theta_max         28.28
_diffrn_reflns_theta_min         2.68
_exptl_absorpt_coefficient_mu    4.294
_exptl_absorpt_correction_T_max  0.6540
_exptl_absorpt_correction_T_min  0.3180
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.570
_exptl_crystal_density_method    'Not Measured'
_exptl_crystal_description       fragment
_exptl_crystal_F_000             780
_exptl_crystal_size_max          0.346
_exptl_crystal_size_mid          0.134
_exptl_crystal_size_min          0.108
_refine_diff_density_max         1.145
_refine_diff_density_min         -0.898
_refine_diff_density_rms         0.069
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.145
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     414
_refine_ls_number_reflns         8196
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.145
_refine_ls_R_factor_all          0.0156
_refine_ls_R_factor_gt           0.0147
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'W=1/[\S^2^(FO^2^)+(0.0223P)^2^+1.0394P] WHERE P=(FO^2^+2FC^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0410
_refine_ls_wR_factor_ref         0.0417
_reflns_number_gt                7946
_reflns_number_total             8196
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            d4dt00996g2.cif
_cod_data_source_block           complex_7
_cod_depositor_comments
'Adding full bibliography for 7716047--7716049.cif.'
_cod_database_code               7716049
_shelx_res_checksum              42761