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_7023528
_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         'C99.50 H81 Cl7 F28 N2 P10 Pd2 '
_chemical_formula_sum            'C99.5 H81 Cl7 F28 N2 P10 Pd2'
_chemical_formula_weight         2607.41
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90.0000
_cell_angle_beta                 91.3229(12)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   22.5750(5)
_cell_length_b                   16.5211(4)
_cell_length_c                   29.1443(7)
_cell_measurement_reflns_used    19349
_cell_measurement_temperature    123(2)
_cell_measurement_theta_max      27.6
_cell_measurement_theta_min      3.0
_cell_volume                     10866.9(4)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_molecular_graphics    'Mercury 2.4'
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  SHELXL
_computing_structure_solution    SHELXS97
_diffrn_ambient_temperature      123(2)
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.989
_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  0.048
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       37
_diffrn_reflns_limit_l_min       -37
_diffrn_reflns_number            100732
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.49
_exptl_absorpt_coefficient_mu    0.745
_exptl_absorpt_correction_T_max  0.985
_exptl_absorpt_correction_T_min  0.778
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.594
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             5220.00
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.02
_refine_diff_density_max         1.62
_refine_diff_density_min         -1.47
_refine_ls_extinction_coef       none
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.101
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     1362
_refine_ls_number_reflns         24672
_refine_ls_R_factor_gt           0.0827
_refine_ls_shift/su_max          0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.1613P)^2^+9.4043P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.2470
_reflns_number_gt                20810
_reflns_number_total             24672
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            c3dt51433a.txt
_cod_data_source_block           '_complex6'
_cod_original_formula_sum        'C99.50 H81 Cl7 F28 N2 P10 Pd2 '
_cod_database_code               7023528