Stepwise growth of polypalladium chains in 1,4-diphenyl-1,3-butadiene sandwich complexes.
Tatsumi, Yasuki; Naga, Tomoki; Nakashima, Hiromitsu; Murahashi, Tetsuro; Kurosawa, Hideo; Chemical communications (Cambridge, England)  (2004) 1430–1431; doi:10.1039/b403098b

data_7102685
_publ_section_title
;
 Stepwise growth of polypalladium chains in 1,4-diphenyl-1,3-butadiene
 sandwich complexes.
;
_journal_issue                   12
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              1430
_journal_page_last               1431
_journal_paper_doi               10.1039/b403098b
_journal_year                    2004
_chemical_formula_sum            'C38 H38 B2 Cl4 F8 N2 Pd4'
_chemical_formula_weight         1263.75
_space_group_IT_number           7
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      7
_symmetry_space_group_name_Hall  'P -2yc'
_symmetry_space_group_name_H-M   'P 1 c 1'
_audit_creation_date             'Thu Apr  1 14:35:02 2004'
_audit_creation_method           'by teXsan'
_cell_angle_alpha                90
_cell_angle_beta                 95.888(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   12.0844(6)
_cell_length_b                   7.6585(3)
_cell_length_c                   23.967(1)
_cell_measurement_reflns_used    17645
_cell_measurement_temperature    213.2
_cell_measurement_theta_max      27.4
_cell_measurement_theta_min      2.8
_cell_volume                     2206.4(2)
_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  'teXsan Ver. 1.10'
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.9962
_diffrn_measured_fraction_theta_max 0.9962
_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  0.041
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            20401
_diffrn_reflns_theta_full        27.47
_diffrn_reflns_theta_max         27.47
_exptl_absorpt_coefficient_mu    1.911
_exptl_absorpt_correction_T_max  0.751
_exptl_absorpt_correction_T_min  0.590
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Higashi, 1995)'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.902
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.150
_refine_diff_density_max         2.41
_refine_diff_density_min         -0.68
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.191
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     518
_refine_ls_number_reflns         3586
_refine_ls_R_factor_gt           0.0747
_refine_ls_shift/su_max          0.0667
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_ref         0.0792
_reflns_number_gt                3586
_reflns_number_total             5030
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            b403098b.txt
_cod_data_source_block           tatsumi1
_cod_original_formula_sum        'C38 H38 B2 Cl4 F8 N2 Pd4 '
_cod_database_code               7102685