A biomimetic phenol substituent effect on the reaction of a dimethylplatinum(II) complex with oxygen: proton coupled electron transfer and multiple proton relay
Mohamed E. Moustafa; Paul D. Boyle; Richard J. Puddephatt; Chem.Commun. 51 (2015) 10334–; doi:10.1039/C5cc03136B

data_7117310
_publ_section_title
;
 A biomimetic phenol substituent effect on the reaction of a
 dimethylplatinum(II) complex with oxygen: proton coupled electron
 transfer and multiple proton relay
;
_journal_name_full               Chem.Commun.
_journal_page_first              10334
_journal_paper_doi               10.1039/C5cc03136B
_journal_volume                  51
_journal_year                    2015
_chemical_formula_sum            'C17.75 H24 N2 O3.5 Pt'
_chemical_formula_weight         516.48
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_audit_block_doi                 10.5517/cc14j1vk
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2015-04-06 deposited with the CCDC.
2015-05-18 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_cell_measurement_theta_max      33.22
_cell_measurement_theta_min      2.52
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_diffrn_ambient_temperature      110
_diffrn_detector                 'CCD plate'
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_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.996
_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
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_diffrn_reflns_av_unetI/netI     0.0702
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_diffrn_reflns_limit_h_max       59
_diffrn_reflns_limit_h_min       -60
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_diffrn_reflns_limit_k_min       -21
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_diffrn_reflns_limit_l_min       -42
_diffrn_reflns_number            157762
_diffrn_reflns_point_group_measured_fraction_full 0.998
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_diffrn_reflns_theta_full        25.242
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_diffrn_reflns_theta_min         3.051
_diffrn_source                   'sealed tube'
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_refine_ls_R_factor_all          0.0805
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0274P)^2^+133.7771P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1020
_refine_ls_wR_factor_ref         0.1112
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                14602
_reflns_number_total             20934
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c5cc03136b3.cif
_cod_data_source_block           complex_2
_cod_original_cell_volume        7015(3)
_cod_original_formula_sum        'C17.75 H24 N2 O3.50 Pt'
_cod_database_code               7117310
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.501
_shelx_estimated_absorpt_t_max   0.573
_shelx_res_checksum              99448