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_7102842
_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         'C78 H111 N O Pd4 '
_chemical_formula_sum            'C78 H111 N O Pd4'
_chemical_formula_weight         1504.34
_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                71.3570(8)
_cell_angle_beta                 83.1230(9)
_cell_angle_gamma                71.5490(9)
_cell_formula_units_Z            2
_cell_length_a                   13.8260(5)
_cell_length_b                   15.3256(5)
_cell_length_c                   18.6303(5)
_cell_measurement_reflns_used    17865
_cell_measurement_temperature    123.1
_cell_measurement_theta_max      30.5
_cell_measurement_theta_min      3.0
_cell_volume                     3547.44(19)
_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 0.987
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.072
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            44531
_diffrn_reflns_theta_full        30.51
_diffrn_reflns_theta_max         30.51
_exptl_absorpt_coefficient_mu    1.041
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.408
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1556.00
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.14
_refine_diff_density_max         6.57
_refine_diff_density_min         -1.19
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     797
_refine_ls_number_reflns         21391
_refine_ls_R_factor_gt           0.0987
_refine_ls_shift/su_max          0.0950
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.1579P)^2^+6.8864P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.3055
_reflns_number_gt                11296
_reflns_number_total             21391
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            b714530f.txt
_cod_data_source_block           '_neutral061212-5'
_cod_original_formula_sum        'C78 H111 N O Pd4 '
_cod_database_code               7102842