Novel Methylpalladium(II) Complexes Bearing Tridentate Imidazole-Based Chelate Ligands: Synthesis, Structural Characterization, and Reactivity
Rüther, Thomas; Done, Melanie C.; Cavell, Kingsley J.; Peacock, Evan J.; Skelton, Brian W.; White, Allan H.; Organometallics 20 (2001) 5522–; doi:10.1021/om0104363

data_4077380
_publ_section_title
;
 Novel Methylpalladium(II) Complexes Bearing Tridentate Imidazole-Based
 Chelate Ligands:&#x00A0; Synthesis, Structural Characterization, and
 Reactivity
;
_journal_issue                   26
_journal_name_full               Organometallics
_journal_page_first              5522
_journal_paper_doi               10.1021/om0104363
_journal_volume                  20
_journal_year                    2001
_chemical_formula_sum            'C33 H43 Cl15 N12 O2 Pd2'
_chemical_formula_weight         1384.42
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90.00000
_cell_angle_beta                 91.7650(10)
_cell_angle_gamma                90.00000
_cell_formula_units_Z            4
_cell_length_a                   14.3524(8)
_cell_length_b                   13.5720(8)
_cell_length_c                   26.310(2)
_cell_measurement_reflns_used    8192
_cell_measurement_temperature    123
_cell_measurement_theta_max      24.4
_cell_measurement_theta_min      2.8
_cell_volume                     5122.5(6)
_computing_cell_refinement       'Siemens SAINT (Siemens, 1995)'
_computing_data_collection       'Siemens SMART (Siemens, 1995)'
_computing_data_reduction        'xtal ADDREF SORTRF'
_computing_molecular_graphics    xtal
_computing_publication_material  'xtal BONDLA CIFIO'
_computing_structure_refinement  'xtal CRYLSQ'
_computing_structure_solution    xtal
_diffrn_ambient_temperature      123
_diffrn_measurement_device_type
;
Bruker SMART CCD diffractometer
;
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_detector       'CCD area detector'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     .71073
_diffrn_reflns_av_R_equivalents  .053
_diffrn_reflns_av_sigmaI/netI    .126
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       44
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            49468
_diffrn_reflns_theta_max         37.38
_diffrn_reflns_theta_min         2.07
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    1.53
_exptl_absorpt_correction_T_max  .89
_exptl_absorpt_correction_T_min  .76
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
 SADABS; Sheldrick, 1996
;
_exptl_crystal_colour            pink
_exptl_crystal_density_diffrn    1.795
_exptl_crystal_description       prism
_exptl_crystal_F_000             2752
_exptl_crystal_size_max          .19
_exptl_crystal_size_mid          .14
_exptl_crystal_size_min          .05
_refine_diff_density_max         1.514
_refine_diff_density_min         -1.243
_refine_ls_goodness_of_fit_all   1.191
_refine_ls_goodness_of_fit_ref   1.326
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     316
_refine_ls_number_reflns         8344
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          .095
_refine_ls_R_factor_gt           .049
_refine_ls_shift/su_max          .008
_refine_ls_shift/su_mean         .001
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         .058
_refine_ls_wR_factor_ref         .052
_reflns_d_resolution_high        .585
_reflns_d_resolution_low         9.84
_reflns_Friedel_coverage         0
_reflns_limit_h_max              24
_reflns_limit_h_min              0
_reflns_limit_k_max              23
_reflns_limit_k_min              0
_reflns_limit_l_max              44
_reflns_limit_l_min              -44
_reflns_number_gt                8344
_reflns_number_total             12932
_reflns_threshold_expression     'F    > 4.00 sig(F   )'
_cod_data_source_file            om0104363.cif
_cod_data_source_block           trpd
_cod_original_sg_symbol_Hall     -c_2yc
_cod_original_sg_symbol_H-M      C_1_2/c_1
_cod_database_code               4077380