Models for Cooperative Catalysis: Oxidative Addition Reactions of Dimethylplatinum(II) Complexes with Ligands Having Both NH and OH Functionality.
Azizpoor Fard, Mahmood; Behnia, Ava; Puddephatt, Richard J.; ACS omega 4 (2019) 257–268; doi:10.1021/acsomega.8b03089

data_4514971
_publ_section_title
;
 Models for Cooperative Catalysis: Oxidative Addition Reactions of
 Dimethylplatinum(II) Complexes with Ligands Having Both NH and OH
 Functionality.
;
_journal_issue                   1
_journal_name_full               'ACS omega'
_journal_page_first              257
_journal_page_last               268
_journal_paper_doi               10.1021/acsomega.8b03089
_journal_volume                  4
_journal_year                    2019
_chemical_formula_sum            'C14 H20 N2 O3 Pt'
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_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
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_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   10.994(4)
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_cell_measurement_theta_min      2.68
_cell_volume                     2917(2)
_computing_cell_refinement       SAINT
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_diffrn_detector                 'CCD plate'
_diffrn_detector_type            'Bruker Apex2'
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device       '\k-geometry diffractometer'
_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  0.1148
_diffrn_reflns_av_unetI/netI     0.1258
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_diffrn_reflns_Laue_measured_fraction_max 0.989
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_diffrn_reflns_limit_l_min       -20
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_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.989
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_diffrn_reflns_theta_max         29.224
_diffrn_reflns_theta_min         2.132
_diffrn_source                   'sealed tube'
_exptl_absorpt_coefficient_mu    9.628
_exptl_absorpt_correction_T_max  0.7458
_exptl_absorpt_correction_T_min  0.5659
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.092
_exptl_crystal_description       needle
_exptl_crystal_F_000             1760
_exptl_crystal_size_max          0.320
_exptl_crystal_size_mid          0.015
_exptl_crystal_size_min          0.010
_refine_diff_density_max         2.093
_refine_diff_density_min         -2.032
_refine_diff_density_rms         0.301
_refine_ls_extinction_method     none
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_refine_ls_number_parameters     361
_refine_ls_number_reflns         7830
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      8.370
_refine_ls_R_factor_all          0.1240
_refine_ls_R_factor_gt           0.0506
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0194P)^2^+18.0102P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_Friedel_coverage         0.000
_reflns_number_gt                4441
_reflns_number_total             7830
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ao8b03089_si_002.cif
_cod_data_source_block           Complex_10
_cod_database_code               4514971
_shelx_shelxl_version_number     2016/6
_shelx_estimated_absorpt_t_min   0.149
_shelx_estimated_absorpt_t_max   0.910
_shelx_res_checksum              72417
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