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_7102686
_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            'C102 H64 B2 Cl12 F48 Pd3'
_chemical_formula_weight         2967.81
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_audit_creation_date             'Wed Apr  7 18:54:19 2004'
_audit_creation_method           'by teXsan'
_cell_angle_alpha                90
_cell_angle_beta                 102.91(1)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   17.981(2)
_cell_length_b                   12.556(5)
_cell_length_c                   26.639(5)
_cell_measurement_temperature    223.2
_cell_volume                     5861(2)
_computing_cell_refinement       PROCESS
_computing_data_collection       PROCESS
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_publication_material  'teXsan Ver. 1.11'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    'DIRDIF94 (PATTY)'
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.2529
_diffrn_measured_fraction_theta_max 0.2529
_diffrn_measurement_device_type  'Rigaku RAXIS-CS Imaging Plate'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -37
_diffrn_reflns_number            8556
_diffrn_reflns_theta_full        29.96
_diffrn_reflns_theta_max         29.96
_exptl_absorpt_coefficient_mu    0.850
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.681
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.100
_refine_diff_density_max         0.94
_refine_diff_density_min         -0.86
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   2.471
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     785
_refine_ls_number_reflns         8505
_refine_ls_R_factor_gt           0.0872
_refine_ls_shift/su_max          0.1060
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_ref         0.0810
_reflns_number_gt                8505
_reflns_number_total             2812
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            b403098b.txt
_cod_data_source_block           mura
_cod_original_formula_sum        'C102 H64 B2 Cl12 F48 Pd3 '
_cod_database_code               7102686