Observation of the New κ2C,O:κ2C′,O′ Coordination Mode of 1,1,2,2-Tetraacetylethanato Ligand in a Dinuclear 1,1,1,5,5,5-Hexafluoroacetylacetonato Palladium(II) Complex
Fukuda, Yutaka; Sakumoto, Maiko; Tanabe, Yoshiaki; Ishii, Youichi; Suzuki, Wakako; Nakao, Akiko; Chemistry Letters 35 (2006) 936–; doi:10.1246/cl.2006.936

data_8000135
_publ_section_title
;
 Observation of the New \k2C,O:\k2C&#x2032;,O&#x2032; Coordination Mode of
 1,1,2,2-Tetraacetylethanato Ligand in a Dinuclear
 1,1,1,5,5,5-Hexafluoroacetylacetonato Palladium(II) Complex
;
_journal_issue                   8
_journal_name_full               'Chemistry Letters'
_journal_page_first              936
_journal_paper_doi               10.1246/cl.2006.936
_journal_volume                  35
_journal_year                    2006
_chemical_formula_moiety         'C20 H14 F12 O8 Pd2 '
_chemical_formula_sum            'C20 H14 F12 O8 Pd2'
_chemical_formula_weight         823.11
_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
_cell_angle_beta                 101.98(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.88(2)
_cell_length_b                   11.03(3)
_cell_length_c                   21.97(7)
_cell_measurement_reflns_used    100
_cell_measurement_temperature    123.1
_cell_measurement_theta_max      32.0
_cell_measurement_theta_min      1.8
_cell_volume                     2579(12)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.6.0'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    'DIRDIF99 (PATTY)'
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.7689
_diffrn_measured_fraction_theta_max 0.7689
_diffrn_measurement_device_type  'Rigaku Mercury'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.039
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            17650
_diffrn_reflns_theta_full        31.82
_diffrn_reflns_theta_max         31.82
_exptl_absorpt_coefficient_mu    1.526
_exptl_absorpt_correction_T_max  0.466
_exptl_absorpt_correction_T_min  0.285
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details
;
    Higashi, T. (1999). Program for Absorption Correction.
    Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    2.120
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1592.00
_exptl_crystal_size_max          0.80
_exptl_crystal_size_mid          0.60
_exptl_crystal_size_min          0.50
_refine_diff_density_max         0.78
_refine_diff_density_min         -0.85
_refine_ls_extinction_coef       275.3(12)
_refine_ls_extinction_method
'Larson (1970) Crystallographic Computing eq. 22'
_refine_ls_goodness_of_fit_ref   1.000
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     394
_refine_ls_number_reflns         6124
_refine_ls_R_factor_gt           0.0660
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     'w = 1/[12.3500\s(Fo^2^)]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0720
_reflns_number_gt                5760
_reflns_number_total             6124
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            35-936sup1.cif
_cod_data_source_block           '_[{Pd(hfac)}2(taet)]'
_cod_original_cell_volume        2579.1(12)
_cod_original_formula_sum        'C20 H14 F12 O8 Pd2 '
_cod_database_code               8000135