Unusual Metal-Coordinated Zwitterionic P-C-N-C-N-C Phosphido Adducts
Allen T. Ekubo; Mark R. J. Elsegood; Andrew J. Lake; Martin B. Smith; Inorganic Chemistry 49 (2010) 3703–3705; doi:10.1021/ic1002308

data_4315341
_publ_section_title
;
 Unusual Metal-Coordinated Zwitterionic P-C-N-C-N-C Phosphido Adducts
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3703
_journal_page_last               3705
_journal_paper_doi               10.1021/ic1002308
_journal_volume                  49
_journal_year                    2010
_chemical_formula_moiety         '2(C34 H38 N4 P2 Pt2 Cl4), 2(C 2H 2Cl)'
_chemical_formula_sum            'C35 H40 Cl6 N4 P2 Pt2'
_chemical_formula_weight         1181.53
_chemical_name_systematic
;
 ?
;
_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_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                114.1393(2)
_cell_angle_beta                 96.4836(2)
_cell_angle_gamma                90.2454(2)
_cell_formula_units_Z            4
_cell_length_a                   12.5972(3)
_cell_length_b                   17.1567(4)
_cell_length_c                   20.8242(4)
_cell_measurement_reflns_used    13616
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      30.78
_cell_measurement_theta_min      2.38
_cell_volume                     4074.50(16)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX 2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL and local programs'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.901
_diffrn_measurement_device_type  'Bruker APEX 2 CCD diffractometer'
_diffrn_measurement_method       '\w rotation with narrow frames'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.6884
_diffrn_reflns_av_R_equivalents  0.0319
_diffrn_reflns_av_sigmaI/netI    0.0502
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            49750
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         31.09
_diffrn_reflns_theta_min         1.26
_diffrn_standards_decay_%        3
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    7.362
_exptl_absorpt_correction_T_max  0.710
_exptl_absorpt_correction_T_min  0.076
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS v2007/2, Sheldrick, G.M., (2007)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.926
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       cube
_exptl_crystal_F_000             2264
_exptl_crystal_size_max          0.72
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.05
_platon_squeeze_details
;
;
_refine_diff_density_max         2.198
_refine_diff_density_min         -1.147
_refine_diff_density_rms         0.171
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     841
_refine_ls_number_reflns         25936
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.053
_refine_ls_R_factor_all          0.0479
_refine_ls_R_factor_gt           0.0378
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0371P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0884
_refine_ls_wR_factor_ref         0.0932
_reflns_number_gt                20263
_reflns_number_total             25936
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic1002308_si_002_3.cif
_cod_data_source_block           4
_cod_database_code               4315341