Bis[1,3(η^3^)-allyl][μ-2(η^4^)-1,3-bis(diphenylphosphino)-2,4-diphenylcyclobuta-1,3-diene-1:3κ^2^<i>P</i>:<i>P</i>']dichlorido-1κ<i>Cl</i>,3κ<i>Cl</i>-[2(η^5^)-isopropylcyclopentadienyl]-2-cobalt(I)-1,3-dipalladium(II) dichloromethane solvate
Chang, Chin-Pei; Hong, Fung-E; Acta Crystallographica Section E 65 (2009) m669–; doi:10.1107/S1600536809018133

data_2222009
_publ_section_title
;Bis[1,3(\h^3^)-allyl][\m-2(\h^4^)-1,3-bis(diphenylphosphino)-2,4-diphenylcyclobuta-1,3-diene-1:3\k^2^<i>P</i>:<i>P</i>']dichlorido-1\k<i>Cl</i>,3\k<i>Cl</i>-[2(\h^5^)-isopropylcyclopentadienyl]-2-cobalt(I)-1,3-dipalladium(II)
 dichloromethane solvate
;
_journal_coeditor_code           GK2195
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m669
_journal_paper_doi               10.1107/S1600536809018133
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac
'[Co Pd2 (C3 H5)2 (C8 H11) Cl2 (C40 H30 P2)], C H2 Cl2'
_chemical_formula_moiety         'C54 H51 Cl2 Co P2 Pd2, C H2 Cl2'
_chemical_formula_sum            'C55 H53 Cl4 Co P2 Pd2'
_chemical_formula_weight         1189.44
_chemical_name_systematic
;
Bis[1,3(\h^3^)-allyl][\m-2(\h^4^)-1,3-bis(diphenylphosphino)-2,4-
diphenylcyclobuta-1,3-diene-\k^2^<i>P</i>:<i>P</i>']dichlorido-
1\k<i>Cl</i>,3\k<i>Cl</i>-[2(\h^5^)-isopropylcyclopentadienyl]-2-
cobalt(I)-1,3-dipalladium(II) dichloromethane solvate
;
_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
_cell_angle_alpha                94.617(7)
_cell_angle_beta                 102.136(7)
_cell_angle_gamma                115.166(7)
_cell_formula_units_Z            2
_cell_length_a                   10.889(4)
_cell_length_b                   12.499(4)
_cell_length_c                   21.746(8)
_cell_measurement_reflns_used    4357
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      25.429
_cell_measurement_theta_min      2.215
_cell_volume                     2570.1(16)
_computing_cell_refinement       'SAINT (Bruker, 1999)'
_computing_data_collection       'SMART (Bruker, 1999)'
_computing_data_reduction        'SAINT (Bruker, 1999)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      298(2)
_diffrn_detector_area_resol_mean 0
_diffrn_measured_fraction_theta_full 0.980
_diffrn_measured_fraction_theta_max 0.980
_diffrn_measurement_device_type  'Bruker SMART 1000 CCD'
_diffrn_measurement_method       '\f and \w'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0328
_diffrn_reflns_av_sigmaI/netI    0.0703
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            14882
_diffrn_reflns_theta_full        26.07
_diffrn_reflns_theta_max         26.07
_diffrn_reflns_theta_min         1.95
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.317
_exptl_absorpt_correction_T_max  0.8269
_exptl_absorpt_correction_T_min  0.7342
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.536
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       parallelepiped
_exptl_crystal_F_000             1198
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.598
_refine_diff_density_min         -0.586
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.982
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     608
_refine_ls_number_reflns         10003
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.982
_refine_ls_R_factor_all          0.0872
_refine_ls_R_factor_gt           0.0470
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.06P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1076
_refine_ls_wR_factor_ref         0.1264
_reflns_number_gt                6379
_reflns_number_total             10003
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            gk2195.cif
_cod_data_source_block           I
_cod_database_code               2222009
_cod_database_fobs_code          2222009