Synthesis and electrochemistry of platinum complexes of hydroquinon-2-ylmethyl- and p-benzoquinon-2-ylmethyl-diphenylphosphine
Sembiring, Seri Bima; Colbran, Stephen B.; Craig, Donald C.; Journal of the Chemical Society, Dalton Transactions  (1999) 1543–; doi:10.1039/a900610i

data_7027273
_publ_section_title
;
 Synthesis and electrochemistry of platinum complexes of
 hydroquinon-2-ylmethyl- and p-benzoquinon-2-ylmethyl-diphenylphosphine
;
_journal_issue                   10
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              1543
_journal_paper_doi               10.1039/a900610i
_journal_year                    1999
_chemical_formula_moiety         'C38 H32 O4 P2 Pt, 2(C3 H7 N O)'
_chemical_formula_sum            'C44 H46 N2 O6 P2 Pt'
_chemical_formula_weight         955.9
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_type_scat_source
'International Tables for X-ray Crystallography, Vol. IV'
_audit_creation_method           'RAELSPUB and manual entry'
_cell_angle_alpha                101.40(4)
_cell_angle_beta                 93.85(4)
_cell_angle_gamma                108.79(3)
_cell_formula_units_Z            2
_cell_length_a                   9.958(8)
_cell_length_b                   14.336(14)
_cell_length_c                   15.438(9)
_cell_measurement_reflns_used    10
_cell_measurement_temperature    294
_cell_measurement_theta_max      11
_cell_measurement_theta_min      10
_cell_volume                     2025(3)
_diffrn_measurement_device_type  'Nonius CAD-4'
_diffrn_measurement_method       \w--2\q
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.013
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            6623
_diffrn_reflns_theta_max         24
_diffrn_standards_decay_%        11
_diffrn_standards_interval_time  30min
_diffrn_standards_number         1
_exptl_absorpt_coefficient_mu    3.625
_exptl_absorpt_correction_T_max  0.70
_exptl_absorpt_correction_T_min  0.50
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details   '(DeMeulenaer & Tompa, 1965)'
_exptl_crystal_density_diffrn    1.57
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             960.0
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.26
_refine_diff_density_min         -1.46
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.19
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     314
_refine_ls_number_reflns         5424
_refine_ls_R_factor_gt           0.023
_refine_ls_shift/su_max          0.019
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(F) + 0.0016F^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.032
_reflns_number_gt                5424
_reflns_number_total             6350
_reflns_threshold_expression     I>3\s(I)
_cod_data_source_file            900610isup1.cif
_cod_data_source_block           cis-[Pt(O,P-PPh2thqH)2
_cod_depositor_comments
;
 Removing the '_publ-author_name' data item since it was not found in the
 core CIF dictionary and the same information was already provided in the
 official bibliography data items. No information was lost by removing this
 data item.

 Antanas Vaitkus,
 2017-03-07
;
_cod_original_formula_sum        'C44 H46 N2 O6 P2 Pt1'
_cod_database_code               7027273