Newcis-andtrans-Arylplatinum(II) Acetylide Compounds Containing a Bis(imino)aryl [NCN] Ligand
Hoogervorst, Wilhelmus J.; Elsevier, Cornelis J.; Lutz, Martin; Spek, Anthony L.; Organometallics 20 (2001) 4437–; doi:10.1021/om010447w

data_4077382
_publ_section_title
;
 Newcis-andtrans-Arylplatinum(II) Acetylide Compounds Containing a
 Bis(imino)aryl [NCN] Ligand
;
_journal_issue                   21
_journal_name_full               Organometallics
_journal_page_first              4437
_journal_paper_doi               10.1021/om010447w
_journal_volume                  20
_journal_year                    2001
_chemical_formula_moiety         'C54 H56 N4 O4 Pt2 Si2'
_chemical_formula_sum            'C54 H56 N4 O4 Pt2 Si2'
_chemical_formula_weight         1271.39
_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   difmap
_atom_sites_solution_primary     heavy
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                88.2974(11)
_cell_angle_beta                 82.1793(11)
_cell_angle_gamma                84.6873(7)
_cell_formula_units_Z            2
_cell_length_a                   11.5121(2)
_cell_length_b                   13.4158(3)
_cell_length_c                   16.3824(2)
_cell_measurement_temperature    150(2)
_cell_volume                     2495.49(8)
_computing_cell_refinement       'DENZO 1.11.0'
_computing_data_collection       'Nonius COLLECT'
_computing_data_reduction        'DENZO 1.11.0'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'DIRDIF-97 (Beurskens et al., 1997)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0630
_diffrn_reflns_av_sigmaI/netI    0.0538
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            34245
_diffrn_reflns_theta_full        27.51
_diffrn_reflns_theta_max         27.51
_diffrn_reflns_theta_min         1.25
_exptl_absorpt_coefficient_mu    5.697
_exptl_absorpt_correction_T_max  0.61
_exptl_absorpt_correction_T_min  0.47
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.692
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1248
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.09
_refine_diff_density_max         1.481
_refine_diff_density_min         -1.820
_refine_diff_density_rms         0.157
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_hydrogen_treatment    constraint
_refine_ls_matrix_type           full
_refine_ls_number_parameters     605
_refine_ls_number_reflns         11344
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.042
_refine_ls_R_factor_all          0.0366
_refine_ls_R_factor_gt           0.0280
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0249P)^2^+1.1959P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0663
_refine_ls_wR_factor_ref         0.0699
_reflns_number_gt                9697
_reflns_number_total             11344
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            om010447w.cif
_cod_data_source_block           s2155a
_cod_database_code               4077382