(2,2'-Bipyridine-κ^2^<i>N</i>,<i>N</i>')(2,3-naphthalenediolato-κ^2^<i>O</i>,<i>O</i>')palladium(II) and (2,2'-biquinoline-κ^2^<i>N</i>,<i>N</i>')(2,3-naphthalenediolato-κ^2^<i>O</i>,<i>O</i>')palladium(II)
Okabe, Nobuo; Hagihara, Kana; Odoko, Mamiko; Muranishi, Yasunori; Acta Crystallographica Section C 60 (2004) m150–m152; doi:10.1107/S0108270104002690

data_2013955
_publ_section_title
;(2,2'-Bipyridine-\k^2^<i>N</i>,<i>N</i>')(2,3-naphthalenediolato-\k^2^<i>O</i>,<i>O</i>')palladium(II)
 and
 (2,2'-biquinoline-\k^2^<i>N</i>,<i>N</i>')(2,3-naphthalenediolato-\k^2^<i>O</i>,<i>O</i>')palladium(II)
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m150
_journal_page_last               m152
_journal_paper_doi               10.1107/S0108270104002690
_journal_volume                  60
_journal_year                    2004
_chemical_formula_iupac          '[Pd (C10 H6 O2) (C10 H8 N2)]'
_chemical_formula_moiety         'C20 H14 N2 O2 Pd'
_chemical_formula_sum            'C20 H14 N2 O2 Pd'
_chemical_formula_weight         420.75
_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                 108.804(8)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.117(2)
_cell_length_b                   8.239(2)
_cell_length_c                   16.8570(10)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      15.0
_cell_measurement_theta_min      14.8
_cell_volume                     1593.0(5)
_computing_cell_refinement
;
MSC/AFC Diffractometer Control Software
(Molecular Structure Corporation, 1992)
;
_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 (Scheldrick, 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  0.014
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            4095
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.50
_diffrn_standards_decay_%        1.10
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.181
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.936
_exptl_absorpt_correction_type   '\y scan'
_exptl_absorpt_process_details   '(North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.754
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             840.0
_exptl_crystal_size_max          0.500
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.200
_refine_diff_density_max         0.38
_refine_diff_density_min         -0.88
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.144
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     226
_refine_ls_number_reflns         3658
_refine_ls_R_factor_gt           0.0267
_refine_ls_shift/su_max          0.0010
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.0381P)^2^+0.8904P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0783
_reflns_number_gt                3090
_reflns_number_total             3658
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            fg1730.cif
_cod_data_source_block           I
_cod_original_cell_volume        1593.1(5)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2013955
_cod_database_fobs_code          2013955