Square Tetrapalladium Sheet Sandwich Complexes: Cyclononatetraenyl as a Versatile Face-Capping Ligand
Tetsuro Murahashi; Ryou Inoue; Kentaro Usui; Sensuke Ogoshi; Journal of the American Chemical Society 131 (2009) 9888–9889; doi:10.1021/ja903679f

data_4104725
_publ_section_title
;
 Square Tetrapalladium Sheet Sandwich Complexes: Cyclononatetraenyl as a
 Versatile Face-Capping Ligand
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              9888
_journal_page_last               9889
_journal_paper_doi               10.1021/ja903679f
_journal_volume                  131
_journal_year                    2009
_chemical_formula_moiety         'C104 H70 B2 F48 Pd8 '
_chemical_formula_sum            'C104 H70 B2 F48 Pd8'
_chemical_formula_weight         3104.44
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 94.238(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   21.624(1)
_cell_length_b                   18.570(1)
_cell_length_c                   27.038(2)
_cell_measurement_reflns_used    14674
_cell_measurement_temperature    153.2
_cell_measurement_theta_max      27.3
_cell_measurement_theta_min      3.0
_cell_volume                     10827.6(11)
_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    'DIRDIF94 (PATTY)'
_diffrn_detector_area_resol_mean 10.00
_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  0.106
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_number            52732
_diffrn_reflns_theta_max         27.47
_exptl_absorpt_coefficient_mu    1.427
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            deepgreen
_exptl_crystal_density_diffrn    1.904
_exptl_crystal_description       platelet
_exptl_crystal_size_max          0.150
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.100
_refine_diff_density_max         1.58
_refine_diff_density_min         -1.47
_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   1.169
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     811
_refine_ls_number_reflns         5964
_refine_ls_R_factor_gt           0.0861
_refine_ls_shift/su_max          -1.6750
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.1000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                5964
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_reflns_threshold_expression     >2.0sigma(I)
_cod_data_source_file            ja903679f_si_002.cif
_cod_data_source_block           inouer1
_cod_original_cell_volume        10828(1)
_cod_original_formula_sum        'C104 H70 B2 F48 Pd8 '
_cod_database_code               4104725