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_7012798
_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)(PMePh2)2]
_chemical_formula_sum            'C64 H59 N2 O9 P7 Pt'
_chemical_formula_weight         1412.08
_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             'Thu Apr  3 14:10:45 2003'
_audit_creation_method           'by teXsan'
_cell_angle_alpha                106.24(1)
_cell_angle_beta                 97.076(9)
_cell_angle_gamma                110.016(9)
_cell_formula_units_Z            2
_cell_length_a                   12.687(1)
_cell_length_b                   14.866(2)
_cell_length_c                   18.923(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    294.2
_cell_measurement_theta_max      20.0
_cell_measurement_theta_min      19.6
_cell_volume                     3123.4(7)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_publication_material  'teXsan Ver. 1.11'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    'DIRDIF94 (PATTY)'
_diffrn_measurement_device_type  'Rigaku AFC7R'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.017
_diffrn_reflns_limit_h_max       0
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       0
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       0
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            14891
_diffrn_standards_decay_%        3.16
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    2.474
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.853
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.501
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_size_max          0.700
_exptl_crystal_size_mid          0.500
_exptl_crystal_size_min          0.300
_refine_diff_density_max         1.02
_refine_diff_density_min         -0.76
_refine_ls_extinction_coef       0.0025(2)
_refine_ls_extinction_method     'Zachariasen(1967) type 2 Gaussian isotropic'
_refine_ls_goodness_of_fit_ref   1.224
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     749
_refine_ls_number_reflns         10966
_refine_ls_R_factor_gt           0.0312
_refine_ls_shift/su_max          0.0410
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00020|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0320
_reflns_number_gt                10966
_reflns_number_total             14339
_cod_data_source_file            b301223a.txt
_cod_data_source_block           (PPN)[Pt(P3O9)(PMePh2)2](4)
_cod_original_cell_volume        3123.3(9)
_cod_original_formula_sum        'C64 H59 N2 O9 P7 Pt '
_cod_database_code               7012798
_reflns_threshold_criterion      F^2^>2.0\s(F^2^)