Facile methyl group transfer from Pt<sup>II</sup> to gallium and indium.
Govindarajan, R.; Vardhanapu, Pavan K.; Fayzullin, Robert R.; Khaskin, Eugene; Khusnutdinova, Julia R.; Chemical communications (Cambridge, England) 60 (2024) 7216–7219; doi:10.1039/d4cc02112f

data_7133194
_publ_section_title
;
 Facile methyl group transfer from Pt<sup>II</sup> to gallium and indium.
;
_journal_issue                   56
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              7216
_journal_page_last               7219
_journal_paper_doi               10.1039/d4cc02112f
_journal_volume                  60
_journal_year                    2024
_chemical_formula_moiety
'C25 H36 Cl In N4 O P Pt, C H3 Cl3 In, C H2 Cl2'
_chemical_formula_sum            'C27 H41 Cl6 In2 N4 O P Pt'
_chemical_formula_weight         1106.04
_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'
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_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2024-04-21 deposited with the CCDC.	2024-06-17 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 93.5845(18)
_cell_angle_gamma                90
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_cell_length_b                   12.2296(2)
_cell_length_c                   35.1991(6)
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_cell_measurement_temperature    100(2)
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_cell_measurement_theta_min      0.518
_cell_volume                     3817.90(12)
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_computing_data_collection       'CrysAlisPro 1.171.43.104a (Rigaku OD, 2023)'
_computing_data_reduction        'CrysAlisPro 1.171.43.104a (Rigaku OD, 2023)'
_computing_molecular_graphics
;
WinGX (Farrugia, 2012); ORTEP-3 (Farrugia, 2012);
PLATON (Spek, 2009); Olex2 (Dolomanov et al., 2009)
;
_computing_publication_material
;
WinGX (Farrugia, 2012); ORTEP-3 (Farrugia, 2012);
PLATON (Spek, 2009); Olex2 (Dolomanov et al., 2009)
;
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT-2018/2 (Sheldrick, 2015)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device_type  'Rigaku XtaLAB Pro: Kappa dual offset/far'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0713
_diffrn_reflns_av_unetI/netI     0.0657
_diffrn_reflns_Laue_measured_fraction_full 0.990
_diffrn_reflns_Laue_measured_fraction_max 0.986
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       47
_diffrn_reflns_limit_l_min       -39
_diffrn_reflns_number            39366
_diffrn_reflns_point_group_measured_fraction_full 0.990
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_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.728
_diffrn_reflns_theta_min         2.793
_diffrn_source                   'microfocus sealed X-ray tube'
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_exptl_absorpt_correction_T_max  1.000
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_exptl_absorpt_process_details
;
CrysAlisPro 1.171.43.104a (Rigaku Oxford Diffraction, 2023).
Numerical absorption correction based on gaussian integration over
a multifaceted crystal model. Empirical absorption correction using
spherical harmonics, frame scaling and detector area scaling,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'dark yellow'
_exptl_crystal_density_diffrn    1.924
_exptl_crystal_description       plate
_exptl_crystal_F_000             2128
_exptl_crystal_recrystallization_method dichloromethane/pentane
_exptl_crystal_size_max          0.152
_exptl_crystal_size_mid          0.057
_exptl_crystal_size_min          0.016
_refine_diff_density_max         3.522
_refine_diff_density_min         -2.384
_refine_diff_density_rms         0.215
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
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_refine_ls_number_reflns         9748
_refine_ls_number_restraints     41
_refine_ls_restrained_S_all      1.135
_refine_ls_R_factor_all          0.0706
_refine_ls_R_factor_gt           0.0560
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0386P)^2^+23.9966P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1126
_refine_ls_wR_factor_ref         0.1165
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8077
_reflns_number_total             9748
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d4cc02112f5.cif
_cod_data_source_block           rjk1606a
_cod_depositor_comments
'Adding full bibliography for 7133193--7133195.cif.'
_cod_original_cell_volume        3817.89(13)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7133194
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.497
_shelx_estimated_absorpt_t_max   0.919
_shelx_res_checksum              74322
_shelx_hkl_checksum              20258