Tetra-μ-chloro-1:2κ^4^<i>Cl</i>;1:3κ^4^<i>Cl</i>-bis(4,4'-dimethyl-2,2'-bipyridine)-2κ^2^<i>N</i>,3κ^2^<i>N</i>-lithium(I)dipalladium(II) tetrakis(pentafluorophenyl)borate dichloromethane 1.196-solvate
Han Shen; Ian M. Steele; Richard F. Jordan; Acta Crystallographica Section C 59 (2003) m405–m406; doi:10.1107/S0108270103018365

data_2013688
_publ_section_title
;Tetra-\m-chloro-1:2\k^4^<i>Cl</i>;1:3\k^4^<i>Cl</i>-bis(4,4'-dimethyl-2,2'-bipyridine)-2\k^2^<i>N</i>,3\k^2^<i>N</i>-lithium(I)dipalladium(II)
 tetrakis(pentafluorophenyl)borate dichloromethane 1.196-solvate
;
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m405
_journal_page_last               m406
_journal_paper_doi               10.1107/S0108270103018365
_journal_volume                  59
_journal_year                    2003
_chemical_formula_iupac
'[Li Pd2 Cl4 (C12 H12 N2)2] (C24 F20 B), 1.196C D2 Cl2'
_chemical_formula_moiety
'C24 H24 Cl4 Li N4 Pd2 1+, C24 F20 B 1-, 1.196C D2 Cl2'
_chemical_formula_sum            'C49.196 H24 B Cl6.392 D2.392 F20 Li N4 Pd2'
_chemical_formula_weight         1513.055
_space_group_IT_number           13
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 98.621(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   22.361(6)
_cell_length_b                   7.939(2)
_cell_length_c                   31.754(9)
_cell_measurement_reflns_used    27015
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      25.04
_cell_measurement_theta_min      1.70
_cell_volume                     5573(3)
_computing_cell_refinement       'SAINT-Plus (Bruker,1999)'
_computing_data_collection       'SMART (Bruker,2001)'
_computing_data_reduction        SAINT-Plus
_computing_molecular_graphics    'SHELXTL (Bruker,1998)'
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker SMART CCD'
_diffrn_measurement_method       '\w scan'
_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  0.0480
_diffrn_reflns_av_sigmaI/netI    0.0491
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_limit_l_min       -37
_diffrn_reflns_number            27015
_diffrn_reflns_theta_full        25.04
_diffrn_reflns_theta_max         25.04
_diffrn_reflns_theta_min         1.70
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         ' '
_exptl_absorpt_coefficient_mu    1.064
_exptl_absorpt_correction_T_max  0.9010
_exptl_absorpt_correction_T_min  0.6755
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 1998)'
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    1.806
_exptl_crystal_density_method    none
_exptl_crystal_description       plate
_exptl_crystal_F_000             2952.528
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.822
_refine_diff_density_min         -1.377
_refine_ls_extinction_coef       0
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL97
_refine_ls_goodness_of_fit_ref   1.246
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     782
_refine_ls_number_reflns         9813
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.246
_refine_ls_R_factor_all          0.0830
_refine_ls_R_factor_gt           0.0764
_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^)+(0.0574P)^2^+46.4907P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1783
_refine_ls_wR_factor_ref         0.1817
_reflns_number_gt                8967
_reflns_number_total             9813
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            sq1023.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 2/c'
_cod_database_code               2013688
_cod_database_fobs_code          2013688