Dichloro{1-[2-(diphenylphosphino-κ<i>P</i>)ethyl]-1,3-dihydro-3-(2,4,6-trimethylphenyl)-2<i>H</i>-imidazol-2-ylidene-κ<i>C</i>}palladium(II) diethyl ether solvate
Lee, Hon Man; Chiu, Pei Ling; Acta Crystallographica Section E 60 (2004) m1473–m1474; doi:10.1107/S1600536804023086

data_2204417
_publ_section_title
;Dichloro{1-[2-(diphenylphosphino-\k<i>P</i>)ethyl]-1,3-dihydro-3-(2,4,6-trimethylphenyl)-2<i>H</i>-imidazol-2-ylidene-\k<i>C</i>}palladium(II)
 diethyl ether solvate
;
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1473
_journal_page_last               m1474
_journal_paper_doi               10.1107/S1600536804023086
_journal_volume                  60
_journal_year                    2004
_chemical_formula_iupac          '[PdCl~2~(C~26~H~27~N~2~P)].C~4~H~10~O'
_chemical_formula_moiety         'C26 H27 Cl2 N2 P Pd, C4 H10 O'
_chemical_formula_sum            'C30 H37 Cl2 N2 O P Pd'
_chemical_formula_weight         649.89
_chemical_name_systematic
;
Dichloro{1-[2-(diphenylphosphino-\kP)ethyl]-1,3-dihydro-3-(2,4,6-
trimethylphenyl)-2H-imidazol-2-ylidene-\kC}palladium(II)
diethyl ether solvate
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/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                 95.01(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.046(5)
_cell_length_b                   14.242(6)
_cell_length_c                   16.289(7)
_cell_measurement_reflns_used    926
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      26.9
_cell_measurement_theta_min      2.9
_cell_volume                     3015(2)
_computing_cell_refinement       'SAINT (Bruker, 2001)'
_computing_data_collection       'SMART (Bruker, 2001)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  SHELXTL
_computing_structure_solution    'SHELXTL (Sheldrick, 1998)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Bruker SMART 1000'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0325
_diffrn_reflns_av_sigmaI/netI    0.0304
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            29264
_diffrn_reflns_theta_full        27.51
_diffrn_reflns_theta_max         27.51
_diffrn_reflns_theta_min         1.57
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.871
_exptl_absorpt_correction_T_max  0.9496
_exptl_absorpt_correction_T_min  0.7445
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS, Sheldrick, 2002)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.432
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1336
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.06
_refine_diff_density_max         0.766
_refine_diff_density_min         -0.395
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.009
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     337
_refine_ls_number_reflns         6845
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.009
_refine_ls_R_factor_all          0.0485
_refine_ls_R_factor_gt           0.0312
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0382P)^2^+2.9149P] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0704
_refine_ls_wR_factor_ref         0.0803
_reflns_number_gt                5422
_reflns_number_total             6845
_reflns_threshold_expression     I>2\s
_cod_data_source_file            ww6283.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2204417
_cod_database_fobs_code          2204417