Dianionic Platinadiphospholene Complexes
Cornelia Tirla; Nicolas Mézailles; Louis Ricard; François Mathey; Pascal Le Floch; Inorganic Chemistry 41 (2002) 6032–6037; doi:10.1021/ic020103d

data_4318809
_publ_contact_author
;
Louis Ricard,
Labo DCPH,
Ecole Polytechnique
Route de Saclay
91128 Palaiseau
France
;
_publ_contact_author_email       louis.ricard@polytechnique.fr
_publ_contact_author_fax         01-69-33-39-90
_publ_contact_author_phone       01-69-33-45-72
_publ_section_title
;
 Dianionic Platinadiphospholene Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              6032
_journal_page_last               6037
_journal_paper_doi               10.1021/ic020103d
_journal_volume                  41
_journal_year                    2002
_chemical_formula_sum            'C88 H112 Li2 N4 O12 P4 Pt'
_chemical_formula_weight         1750.67
_chemical_name_systematic
;
  ?
;
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_date             02-05-02
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.0000(1)
_cell_angle_beta                 90.0000(1)
_cell_angle_gamma                90.0000(1)
_cell_formula_units_Z            4
_cell_length_a                   12.6947(2)
_cell_length_b                   17.2161(3)
_cell_length_c                   37.8877(5)
_cell_measurement_temperature    150.0(10)
_cell_volume                     8280.5(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150.0(10)
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0692
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       49
_diffrn_reflns_limit_l_min       -49
_diffrn_reflns_number            17543
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         1.07
_exptl_absorpt_coefficient_mu    1.835
_exptl_absorpt_correction_T_max  0.8979
_exptl_absorpt_correction_T_min  0.7703
_exptl_crystal_density_diffrn    1.404
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3632
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.06
_refine_diff_density_max         1.233
_refine_diff_density_min         -0.562
_refine_diff_density_rms         0.094
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.005(4)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.010
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1000
_refine_ls_number_reflns         17543
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.010
_refine_ls_R_factor_all          0.0550
_refine_ls_R_factor_gt           0.0431
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0405P)^2^+2.5026P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0829
_refine_ls_wR_factor_ref         0.0866
_reflns_number_gt                15305
_reflns_number_total             17543
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic020103d.cif
_cod_data_source_block           pt222
_cod_database_code               4318809