A stable zerovalent palladium chain enveloped by a pi-electron sheath of conjugated polyene ligands.
Tatsumi, Yasuki; Murahashi, Tetsuro; Okada, Mitsue; Ogoshi, Sensuke; Kurosawa, Hideo; Chemical communications (Cambridge, England)  (2008) 477–479; doi:10.1039/b714530f

data_7102843
_publ_section_title
;
 A stable zerovalent palladium chain enveloped by a pi-electron sheath
 of conjugated polyene ligands.
;
_journal_issue                   4
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              477
_journal_page_last               479
_journal_paper_doi               10.1039/b714530f
_journal_year                    2008
_chemical_formula_moiety         'C110 H142 B2 F8 N2 Pd4 '
_chemical_formula_sum            'C110 H142 B2 F8 N2 Pd4'
_chemical_formula_weight         2091.55
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.0000
_cell_angle_beta                 96.7780(6)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            2
_cell_length_a                   10.14130(10)
_cell_length_b                   22.7850(3)
_cell_length_c                   22.3895(3)
_cell_measurement_reflns_used    79997
_cell_measurement_temperature    133.1
_cell_measurement_theta_max      30.5
_cell_measurement_theta_min      0.9
_cell_volume                     5137.37(11)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  SHELXL
_computing_structure_solution    'DIRDIF99 (PATTY)'
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.052
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            56510
_diffrn_reflns_theta_full        30.51
_diffrn_reflns_theta_max         30.51
_exptl_absorpt_coefficient_mu    0.750
_exptl_absorpt_correction_T_max  0.861
_exptl_absorpt_correction_T_min  0.454
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
Higashi, T. (1995). Program for Absorption Correction.
Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.352
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2164.00
_exptl_crystal_size_max          0.64
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.27
_refine_diff_density_min         -0.91
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.124
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     543
_refine_ls_number_reflns         15527
_refine_ls_R_factor_gt           0.0554
_refine_ls_shift/su_max          0.0600
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0713P)^2^+10.3602P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1503
_reflns_number_gt                13091
_reflns_number_total             15527
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            b714530f.txt
_cod_data_source_block           '_tatsumi__________________'
_cod_original_formula_sum        'C110 H142 B2 F8 N2 Pd4 '
_cod_database_code               7102843