cis-[PtBr2{PPh2(4-catechol)}2]: synthesis, crystal structure, and computational modelling of its binding to nanocrystalline TiO2.
Lucas, Nigel T.; McDonagh, Andrew M.; Dance, Ian G.; Colbran, Stephen B.; Craig, Donald C.; Dalton transactions (Cambridge, England : 2003)  (2006) 680–685; doi:10.1039/b513354h

data_7006731
_publ_section_title
;
 cis-[PtBr2{PPh2(4-catechol)}2]: synthesis, crystal structure, and
 computational modelling of its binding to nanocrystalline TiO2.
;
_journal_issue                   5
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              680
_journal_page_last               685
_journal_paper_doi               10.1039/b513354h
_journal_year                    2006
_chemical_formula_moiety         'C36 H30 Br2 O4 P2 Pt,2(C2 H6 O)'
_chemical_formula_sum            'C40 H42 Br2 O6 P2 Pt'
_chemical_formula_weight         1035.6
_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'
_cell_angle_alpha                83.44(2)
_cell_angle_beta                 87.94(2)
_cell_angle_gamma                87.97(2)
_cell_formula_units_Z            2
_cell_length_a                   11.032(4)
_cell_length_b                   11.686(4)
_cell_length_c                   15.342(5)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    294
_cell_measurement_theta_max      17
_cell_measurement_theta_min      14
_cell_volume                     1962.7(12)
_computing_cell_refinement       'CAD4 Version 5.0, 1989'
_computing_data_collection       'CAD4 Version 5.0, 1989'
_computing_data_reduction        'Local program'
_computing_molecular_graphics    'ORTEP-II, (Johnson, 1976)'
_computing_publication_material  'Local programs'
_computing_structure_refinement  'RAELS, (Rae, 1989)'
_computing_structure_solution    'SIR92 (Altomare et al, 1994)'
_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  0.052
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            5741
_diffrn_reflns_theta_max         23
_diffrn_standards_decay_%        10
_diffrn_standards_interval_time  30min
_diffrn_standards_number         1
_exptl_absorpt_coefficient_mu    5.751
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.75
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       irregular
_exptl_crystal_F_000             1016.0
_exptl_crystal_size_rad          0.1
_refine_diff_density_max         1.18
_refine_diff_density_min         -1.74
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.32
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     237
_refine_ls_number_reflns         4624
_refine_ls_R_factor_gt           0.035
_refine_ls_shift/su_max          0.018
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(F) + 0.0004F^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.043
_reflns_number_gt                4624
_reflns_number_total             5426
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            b513354h.txt
_cod_data_source_block           compound_1
_cod_original_cell_volume        1963(1)
_cod_database_code               7006731