(1,2-Benzenediolato-κ^2^<i>O</i>,<i>O</i>')(2,2'-biquinoline-κ^2^<i>N</i>,<i>N</i>')palladium(II)
Okabe, Nobuo; Aziyama, Toshihiko; Odoko, Mamiko; Acta Crystallographica Section E 61 (2005) m2154–m2156; doi:10.1107/S160053680503062X

data_2206965
_publ_section_title
(1,2-Benzenediolato-\k^2^<i>O</i>,<i>O</i>')(2,2'-biquinoline-\k^2^<i>N</i>,<i>N</i>')palladium(II)
_journal_coeditor_code           HB6273
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2154
_journal_page_last               m2156
_journal_paper_doi               10.1107/S160053680503062X
_journal_volume                  61
_journal_year                    2005
_chemical_formula_iupac          '[Pd (C6 H4 O2) (C18 H12 N2)]'
_chemical_formula_moiety         'C24 H16 N2 O2 Pd'
_chemical_formula_sum            'C24 H16 N2 O2 Pd'
_chemical_formula_weight         470.81
_chemical_name_systematic
;
(1,2-Benzenediolato-\k^2^O,O')((2,2'-biquinoline-\k^2^N,N')palladium(II)
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 95.635(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.042(2)
_cell_length_b                   9.487(2)
_cell_length_c                   17.796(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      15.0
_cell_measurement_theta_min      14.4
_cell_volume                     1855.2(6)
_computing_cell_refinement       'MSC/AFC Diffractometer Control Software'
_computing_data_collection
;
MSC/AFC Diffractometer Control Software  (Molecular Structure Corporation,
1992)
;
_computing_data_reduction
'TEXSAN (Molecular Structure Corporation, 2000)'
_computing_molecular_graphics    'ORTEPII (Johnson, 1976)'
_computing_publication_material
'TEXSAN (Molecular Structure Corporation, 2000)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR97 (Altomare et al., 1999)'
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Rigaku AFC-5R'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.043
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            4749
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.51
_diffrn_standards_decay_%        0.37
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.024
_exptl_absorpt_correction_T_max  0.903
_exptl_absorpt_correction_T_min  0.832
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North et al., 1968)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.686
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             944.0
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.47
_refine_diff_density_min         -0.35
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.068
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     262
_refine_ls_number_reflns         4267
_refine_ls_R_factor_gt           0.0323
_refine_ls_shift/su_max          0.0020
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.0349P)^2^] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0887
_reflns_number_gt                2996
_reflns_number_total             4267
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hb6273.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2206965