Flexible, linear, tetranuclear palladium complexes supported by tetraphosphine ligands with electron-withdrawing groups.
Tanase, Tomoaki; Hatada, Satoko; Mochizuki, Ayaka; Nakamae, Kanako; Kure, Bunsho; Nakajima, Takayuki; Dalton transactions (Cambridge, England : 2003) 42 (2013) 15941–15952; doi:10.1039/c3dt51433a

data_7023525
_publ_section_title
;
 Flexible, linear, tetranuclear palladium complexes supported by
 tetraphosphine ligands with electron-withdrawing groups.
;
_journal_issue                   45
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              15941
_journal_page_last               15952
_journal_paper_doi               10.1039/c3dt51433a
_journal_volume                  42
_journal_year                    2013
_chemical_formula_moiety         'C107.50 H88 Cl5 F28 N3 P10 Pd4 '
_chemical_formula_sum            'C107.5 H88 Cl5 F28 N3 P10 Pd4'
_chemical_formula_weight         2866.46
_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                109.400(3)
_cell_angle_beta                 98.8437(19)
_cell_angle_gamma                90.3785(11)
_cell_formula_units_Z            2
_cell_length_a                   14.9851(7)
_cell_length_b                   20.2837(13)
_cell_length_c                   20.9517(14)
_cell_measurement_reflns_used    9315
_cell_measurement_temperature    123(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.1
_cell_volume                     5924.0(6)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_molecular_graphics    'Mercury 3.1'
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  SHELXL
_computing_structure_solution    SIR97
_diffrn_ambient_temperature      123(2)
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.971
_diffrn_measured_fraction_theta_max 0.973
_diffrn_measurement_device_type  'Rigaku Saturn'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.047
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            56425
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    0.936
_exptl_absorpt_correction_T_max  0.981
_exptl_absorpt_correction_T_min  0.761
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.607
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             2850.00
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.02
_refine_diff_density_max         2.36
_refine_diff_density_min         -1.25
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.119
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     1478
_refine_ls_number_reflns         26420
_refine_ls_R_factor_gt           0.0940
_refine_ls_shift/su_max          0.003
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.1453P)^2^+13.0174P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.2808
_reflns_number_gt                18531
_reflns_number_total             26420
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            c3dt51433a.txt
_cod_data_source_block           '_complex1'
_cod_original_formula_sum        'C107.50 H88 Cl5 F28 N3 P10 Pd4 '
_cod_database_code               7023525