Heteromultimetallic Transition Metal Complexes Based on Unsymmetrical Platinum(II) Bis-Acetylides
Packheiser, Rico; Ecorchard, Petra; Rüffer, Tobias; Lang, Heinrich; Organometallics 27 (2008) 3534–; doi:10.1021/om800232m

data_4071559
_publ_section_title
;
 Heteromultimetallic Transition Metal Complexes Based on Unsymmetrical
 Platinum(II) Bis-Acetylides
;
_journal_issue                   14
_journal_name_full               Organometallics
_journal_page_first              3534
_journal_paper_doi               10.1021/om800232m
_journal_volume                  27
_journal_year                    2008
_chemical_formula_sum            'C109 H82 Cl7 N2 O3 Os2 P4 Re'
_chemical_formula_weight         2406.40
_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                75.718(10)
_cell_angle_beta                 80.444(9)
_cell_angle_gamma                82.966(9)
_cell_formula_units_Z            2
_cell_length_a                   9.7379(9)
_cell_length_b                   20.428(2)
_cell_length_c                   26.946(3)
_cell_measurement_reflns_used    16479
_cell_measurement_temperature    100
_cell_measurement_theta_max      60.4607
_cell_measurement_theta_min      3.1141
_cell_volume                     5103.8(9)
_computing_cell_refinement
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.31.7 (release 18-10-2006 CrysAlis171 .NET)
(compiled Oct 18 2006,16:28:17)
;
_computing_data_collection
;
CrysAlis CCD, Oxford Diffraction Ltd.,
Version 1.171.31.7 (release 18-10-2006 CrysAlis171 .NET)
(compiled Oct 18 2006,16:28:17)
;
_computing_data_reduction
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.31.7 (release 18-10-2006 CrysAlis171 .NET)
(compiled Oct 18 2006,16:28:17)
;
_computing_publication_material  shelxtl
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    SIR-92
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.973
_diffrn_measured_fraction_theta_max 0.973
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Cu) X-ray Source'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0356
_diffrn_reflns_av_sigmaI/netI    0.0590
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            39189
_diffrn_reflns_theta_full        60.51
_diffrn_reflns_theta_max         60.51
_diffrn_reflns_theta_min         3.42
_exptl_absorpt_coefficient_mu    9.543
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.56339
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            needle
_exptl_crystal_density_diffrn    1.566
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'dark red'
_exptl_crystal_F_000             2360
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_refine_diff_density_max         3.273
_refine_diff_density_min         -2.401
_refine_diff_density_rms         0.184
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1023
_refine_ls_number_reflns         14947
_refine_ls_number_restraints     81
_refine_ls_restrained_S_all      1.039
_refine_ls_R_factor_all          0.0764
_refine_ls_R_factor_gt           0.0559
_refine_ls_shift/su_max          0.102
_refine_ls_shift/su_mean         0.010
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1167P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1573
_refine_ls_wR_factor_ref         0.1709
_reflns_number_gt                11176
_reflns_number_total             14947
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om800232m-file002.cif
_cod_data_source_block           rico59
_cod_original_cell_volume        5103.7(10)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4071559