Synthesis and Structure of New Binuclear Organopalladium Macrocyclic Complexes
Tsubomura, Taro; Tanihata, Takayuki; Yamakawa, Tetsuya; Ohmi, Rakuko; Tamane, Tsuyoshi; Higuchi, Akon; Katoh, Akira; Sakai, Ken; Organometallics 20 (2001) 3833–; doi:10.1021/om0103862

data_4077367
_publ_section_title
;
 Synthesis and Structure of New Binuclear Organopalladium Macrocyclic
 Complexes
;
_journal_issue                   18
_journal_name_full               Organometallics
_journal_page_first              3833
_journal_paper_doi               10.1021/om0103862
_journal_volume                  20
_journal_year                    2001
_chemical_formula_sum            'C27 H39 Br2 Cl3 N4 Pd2'
_chemical_formula_weight         898.60
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.445(2)
_cell_length_b                   17.928(2)
_cell_length_c                   12.903(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      15.0
_cell_measurement_theta_min      14.6
_cell_volume                     3341.5(8)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_publication_material  'teXsan Ver. 1.11'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    SIR92
_diffrn_measured_fraction_theta_full 0.9990
_diffrn_measured_fraction_theta_max 0.9990
_diffrn_measurement_device_type  'Rigaku AFC5S'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_limit_h_max       0
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            4289
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_diffrn_standards_decay_%        7.42
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    3.739
_exptl_absorpt_correction_T_max  0.990
_exptl_absorpt_correction_T_min  0.787
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.786
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_size_max          0.400
_exptl_crystal_size_mid          0.300
_exptl_crystal_size_min          0.200
_refine_diff_density_max         0.87
_refine_diff_density_min         -1.00
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.999
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     178
_refine_ls_number_reflns         3958
_refine_ls_R_factor_gt           0.0485
_refine_ls_shift/su_max          0.0009
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.04000(Max(Fo^2^,0) + 2Fc^2^)/3)^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1151
_reflns_number_gt                1804
_reflns_number_total             3958
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            om0103862.cif
_cod_data_source_block           '[PdBr2L]CHCl3_Z-shape'
_cod_original_cell_volume        3341.3(5)
_cod_original_formula_sum        'C27 H39 Br2 Cl3 N4 Pd2 '
_cod_database_code               4077367