Bis{1-[(<i>E</i>)-(2-methylphenyl)diazenyl]-2-naphtholato}palladium(II)
Lin, Meng-Ling; Tsai, Chen-Yen; Li, Chen-Yu; Huang, Bor-Hunn; Ko, Bao-Tsan; Acta Crystallographica Section E 66 (2010) m1022–; doi:10.1107/S1600536810028916

data_2227027
_publ_section_title
;
 Bis{1-[(<i>E</i>)-(2-methylphenyl)diazenyl]-2-naphtholato}palladium(II)
;
_journal_coeditor_code           NK2047
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1022
_journal_paper_doi               10.1107/S1600536810028916
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          '[Pd (C17 H13 N2 O)2]'
_chemical_formula_moiety         'C34 H26 N4 O2 Pd'
_chemical_formula_sum            'C34 H26 N4 O2 Pd'
_chemical_formula_weight         628.99
_chemical_name_systematic
;
Bis{1-[(<i>E</i>)-(2-methylphenyl)diazenyl]-2-naphtholato}palladium(II)
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 94.151(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   22.9997(7)
_cell_length_b                   4.8374(2)
_cell_length_c                   24.7294(7)
_cell_measurement_reflns_used    7356
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      28.24
_cell_measurement_theta_min      2.34
_cell_volume                     2744.14(16)
_computing_cell_refinement       'SAINT-Plus (Bruker, 2008)'
_computing_data_collection       'APEX2 (Bruker, 2008)'
_computing_data_reduction        'SAINT-Plus (Bruker, 2008)'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 2006)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXTL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXTL (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_detector_area_resol_mean 8.3333
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker APEXII CCD'
_diffrn_measurement_method       '\f and \w scans'
_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  0.0288
_diffrn_reflns_av_sigmaI/netI    0.0295
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       6
_diffrn_reflns_limit_k_min       -6
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            12830
_diffrn_reflns_theta_full        28.32
_diffrn_reflns_theta_max         28.32
_diffrn_reflns_theta_min         1.65
_exptl_absorpt_coefficient_mu    0.716
_exptl_absorpt_correction_T_max  0.9002
_exptl_absorpt_correction_T_min  0.7828
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2008)'
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.522
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1280
_exptl_crystal_size_max          0.53
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.574
_refine_diff_density_min         -0.388
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.005
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     187
_refine_ls_number_reflns         3412
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.005
_refine_ls_R_factor_all          0.0530
_refine_ls_R_factor_gt           0.0335
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0308P)^2^+8.4214P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0770
_refine_ls_wR_factor_ref         0.0912
_reflns_number_gt                2463
_reflns_number_total             3412
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            nk2047.cif
_cod_data_source_block           I
_cod_original_cell_volume        2744.15(16)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2227027
_cod_database_fobs_code          2227027