Push-pull ligands and the oxidation of monomethylplatinum(II) complexes with oxygen or hydrogen peroxide
Abo-Amer, Anwar; Boyle, Paul D.; Puddephatt, Richard J.; Inorganica Chimica Acta 507 (2020) 119580–; doi:10.1016/j.ica.2020.119580

data_1564653
_publ_section_title
;
 Push-pull ligands and the oxidation of monomethylplatinum(II) complexes
 with oxygen or hydrogen peroxide
;
_journal_name_full               'Inorganica Chimica Acta'
_journal_page_first              119580
_journal_paper_doi               10.1016/j.ica.2020.119580
_journal_volume                  507
_journal_year                    2020
_chemical_formula_sum            'C20 H26 N4 O6 Pt'
_chemical_formula_weight         613.54
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
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_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2016/6
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_cell_angle_beta                 73.995(13)
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_cell_length_a                   10.060(3)
_cell_length_b                   13.867(4)
_cell_length_c                   17.107(4)
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_cell_measurement_temperature    110
_cell_measurement_theta_max      34.14
_cell_measurement_theta_min      2.53
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_computing_cell_refinement       SAINT
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_computing_molecular_graphics    NRCVAX
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_computing_structure_refinement  SHELXL
_computing_structure_solution    SHELXT
_diffrn_ambient_temperature      110
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker Kappa Axis Apex2'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0602
_diffrn_reflns_av_unetI/netI     0.0736
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            108943
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         41.567
_diffrn_reflns_theta_min         2.331
_diffrn_source                   'sealed tube'
_exptl_absorpt_coefficient_mu    6.576
_exptl_absorpt_correction_T_max  0.7481
_exptl_absorpt_correction_T_min  0.5311
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.897
_exptl_crystal_description       rectangular
_exptl_crystal_F_000             1200
_exptl_crystal_size_max          0.176
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_refine_ls_extinction_method     none
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_refine_ls_number_reflns         29065
_refine_ls_number_restraints     0
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_refine_ls_R_factor_all          0.0816
_refine_ls_R_factor_gt           0.0431
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0147P)^2^+4.2868P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0686
_refine_ls_wR_factor_ref         0.0770
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
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_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ICA-2020-507-119580.cif
_cod_data_source_block           2
_cod_original_cell_volume        2148.5(11)
_cod_database_code               1564653
_shelx_shelxl_version_number     2016/6
_shelx_estimated_absorpt_t_min   0.391
_shelx_estimated_absorpt_t_max   0.690