Bis{2-[(<i>E</i>)-(4-fluorobenzyl)iminomethyl]-6-methoxyphenolato}palladium(II)
Bahron, Hadariah; Mohd Tajuddin, Amalina; Ibrahim, Wan Nazihah Wan; Hemamalini, Madhukar; Fun, Hoong-Kun; Acta Crystallographica Section E 67 (2011) m759–m760; doi:10.1107/S1600536811017739

data_2230376
_publ_section_title
;
 Bis{2-[(<i>E</i>)-(4-fluorobenzyl)iminomethyl]-6-methoxyphenolato}palladium(II)
;
_journal_coeditor_code           IS2710
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m759
_journal_page_last               m760
_journal_paper_doi               10.1107/S1600536811017739
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Pd (C15 H13 F N O2)2]'
_chemical_formula_moiety         'C30 H26 F2 N2 O4 Pd'
_chemical_formula_sum            'C30 H26 F2 N2 O4 Pd'
_chemical_formula_weight         622.93
_chemical_name_systematic
;
Bis{2-[(<i>E</i>)-(4-fluorobenzyl)iminomethyl]-6-methoxyphenolato}palladium(II)
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                109.5500(10)
_cell_angle_beta                 98.3680(10)
_cell_angle_gamma                90.0540(10)
_cell_formula_units_Z            2
_cell_length_a                   10.0025(4)
_cell_length_b                   11.0082(4)
_cell_length_c                   12.3152(4)
_cell_measurement_reflns_used    9774
_cell_measurement_temperature    100.0(10)
_cell_measurement_theta_max      35.13
_cell_measurement_theta_min      2.50
_cell_volume                     1262.45(8)
_computing_cell_refinement       'SAINT (Bruker, 2009)'
_computing_data_collection       'APEX2 (Bruker, 2009)'
_computing_data_reduction        'SAINT (Bruker, 2009)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material
'SHELXTL (Sheldrick, 2008) and PLATON (Spek, 2009)'
_computing_structure_refinement  'SHELXTL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXTL (Sheldrick, 2008)'
_diffrn_ambient_temperature      100.0(10)
_diffrn_measured_fraction_theta_full 0.979
_diffrn_measured_fraction_theta_max 0.979
_diffrn_measurement_device_type
;
Bruker SMART APEXII CCD area-detector
;
_diffrn_measurement_method       '\f and \w'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0268
_diffrn_reflns_av_sigmaI/netI    0.0244
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            39095
_diffrn_reflns_theta_full        35.23
_diffrn_reflns_theta_max         35.23
_diffrn_reflns_theta_min         1.78
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.791
_exptl_absorpt_correction_T_max  0.8852
_exptl_absorpt_correction_T_min  0.6769
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2009)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.639
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             632
_exptl_crystal_size_max          0.54
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.16
_refine_diff_density_max         1.952
_refine_diff_density_min         -1.721
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     354
_refine_ls_number_reflns         11056
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.030
_refine_ls_R_factor_all          0.0336
_refine_ls_R_factor_gt           0.0291
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0422P)^2^+0.7245P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0768
_refine_ls_wR_factor_ref         0.0810
_reflns_number_gt                9774
_reflns_number_total             11056
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            is2710.cif
_cod_data_source_block           I
_cod_database_code               2230376
_cod_database_fobs_code          2230376