Architectural formation of a conjugated bimetallic Pd(II) complex via oxidative complexation and a tetracyclic Pd(II) complex via self-assembling complexation
Moriuchi, Toshiyuki; Kamikawa, Masayuki; Bandoh, Seiji; Hirao, Toshikazu; Chemical Communications (Cambridge, United Kingdom)  (2002) 1476–1477; doi:10.1039/b203726m

data_7114454
_publ_section_title
;
 Architectural formation of a conjugated bimetallic Pd(II) complex via
 oxidative complexation and a tetracyclic Pd(II) complex via
 self-assembling complexation
;
_journal_coden_ASTM              CHCOFS
_journal_issue                   14
_journal_name_full
'Chemical Communications (Cambridge, United Kingdom)'
_journal_page_first              1476
_journal_page_last               1477
_journal_paper_doi               10.1039/b203726m
_journal_year                    2002
_chemical_formula_moiety         'C93 H85 Cl3 N12 O8 Pd4 '
_chemical_formula_sum            'C93 H85 Cl3 N12 O8 Pd4'
_chemical_formula_weight         2030.73
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                107.276(4)
_cell_angle_beta                 101.263(4)
_cell_angle_gamma                78.927(3)
_cell_formula_units_Z            2
_cell_length_a                   17.6912(5)
_cell_length_b                   19.1708(3)
_cell_length_c                   16.5754(7)
_cell_measurement_reflns_used    15026
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      27.4
_cell_measurement_theta_min      2.3
_cell_volume                     5210.4(3)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_publication_material  'teXsan Ver. 1.11'
_computing_structure_refinement  SHELXL97
_computing_structure_solution    DirectMethod
_diffrn_detector_area_resol_mean 5.00
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID Imaging Plate'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.032
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            27983
_diffrn_reflns_theta_max         25.00
_exptl_absorpt_coefficient_mu    0.810
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.294
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_size_max          0.800
_exptl_crystal_size_mid          0.700
_exptl_crystal_size_min          0.350
_refine_diff_density_max         3.38
_refine_diff_density_min         -5.73
_refine_ls_extinction_coef       0.0000
_refine_ls_extinction_expression Fc^*^==kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.448
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     1085
_refine_ls_number_reflns         9139
_refine_ls_R_factor_gt           0.1403
_refine_ls_shift/su_max          6.8500
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w == 1/[\s^2^(Fo^2^) + (0.2000P)^2^+0.0000P] where P==(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.3921
_reflns_number_gt                9139
_reflns_number_total             15675
_reflns_threshold_expression     >2.0sigma(I)
_cod_data_source_file            b203726m.txt
_cod_data_source_block           CCDC-178476
_cod_original_sg_symbol_H-M      'P -1         '
_cod_original_formula_sum        'C93 H85 Cl3 N12 O8 Pd4 '
_cod_database_code               7114454