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_7012796
_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)[Pd(P3O9)(PMePh2)2]
_chemical_formula_sum            'C64 H59 N2 O9 P7 Pd'
_chemical_formula_weight         1323.39
_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 14:01:19 2003'
_audit_creation_method           'by teXsan'
_cell_angle_alpha                106.07(2)
_cell_angle_beta                 97.30(4)
_cell_angle_gamma                109.98(3)
_cell_formula_units_Z            2
_cell_length_a                   12.690(6)
_cell_length_b                   14.844(4)
_cell_length_c                   18.925(5)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    294.2
_cell_measurement_theta_max      20.0
_cell_measurement_theta_min      19.9
_cell_volume                     3121(2)
_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    DirectMethod
_diffrn_measured_fraction_theta_full 0.9985
_diffrn_measured_fraction_theta_max 0.9985
_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  0.016
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            14880
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_standards_decay_%        0.28
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.534
_exptl_absorpt_correction_T_max  0.999
_exptl_absorpt_correction_T_min  0.900
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            paleyellowprismatic
_exptl_crystal_density_diffrn    1.408
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_size_max          0.600
_exptl_crystal_size_mid          0.400
_exptl_crystal_size_min          0.200
_refine_diff_density_max         0.43
_refine_diff_density_min         -0.32
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.408
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     748
_refine_ls_number_reflns         9596
_refine_ls_R_factor_gt           0.0346
_refine_ls_shift/su_max          0.0365
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00016|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0354
_reflns_number_gt                9596
_reflns_number_total             14327
_cod_data_source_file            b301223a.txt
_cod_data_source_block           (PPN)[Pd(P3O9)(PMePh2)2](2)
_cod_original_formula_sum        'C64 H59 N2 O9 P7 Pd '
_cod_database_code               7012796
_reflns_threshold_criterion      F^2^>3.0\s(F^2^)