Syntheses, structures and solution behaviour of cyclotriphosphato complexes of Pd(ii), Pt(ii) and Pt(iv)
Kamimura, Sou; Kuwata, Shigeki; Iwasaki, Masakazu; Ishii, Youichi; Dalton Transactions  (2003) 2666–; doi:10.1039/b301223a

data_7012797
_publ_section_title
;
 Syntheses, structures and solution behaviour of cyclotriphosphato
 complexes of Pd(ii), Pt(ii) and Pt(iv)
;
_journal_issue                   13
_journal_name_full               'Dalton Transactions'
_journal_page_first              2666
_journal_paper_doi               10.1039/b301223a
_journal_year                    2003
_chemical_formula_moiety         (PPN)[Pt(P3O9)(PPh3)2]
_chemical_formula_sum            'C74.5 H65 Cl5 N O9 P7 Pt'
_chemical_formula_weight         1707.51
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_date             2003-04-03
_audit_creation_method           'by CrystalStructure v3.00'
_cell_angle_alpha                105.188(2)
_cell_angle_beta                 92.784(2)
_cell_angle_gamma                103.9060(9)
_cell_formula_units_Z            2
_cell_length_a                   14.1829(7)
_cell_length_b                   15.9737(4)
_cell_length_c                   17.0641(7)
_cell_measurement_reflns_used    14577
_cell_measurement_temperature    103.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      1.4
_cell_volume                     3595.8(3)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure Ver. 3.00'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.9372
_diffrn_measured_fraction_theta_max 0.9406
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.032
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            24088
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.47
_exptl_absorpt_coefficient_mu    2.343
_exptl_absorpt_correction_T_max  0.626
_exptl_absorpt_correction_T_min  0.442
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
Higashi, T. (1995). Program for Absorption Correction.
Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.577
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1718.00
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.58
_refine_diff_density_min         -1.79
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.001
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     932
_refine_ls_number_reflns         13232
_refine_ls_R_factor_gt           0.0280
_refine_ls_shift/su_max          0.0060
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details
'w = 1/[0.0010Fo^2^ + 1.0000\s^2^(Fo) + 0.0001]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0390
_reflns_number_gt                13232
_reflns_number_total             15499
_cod_data_source_file            b301223a.txt
_cod_data_source_block           (PPN)[Pt(P3O9)(PPh3)2](3)
_cod_original_sg_symbol_H-M      'P -1       '
_cod_original_formula_sum        'C74.50 H65 Cl5 N O9 P7 Pt '
_cod_database_code               7012797
_reflns_threshold_criterion      F^2^>2.0\s(F^2^)