μ-2,2',6,6'-Tetramethyl-4,4'-bipyridine-κ^2^<i>N</i>^1^:<i>N</i>^1'^-bis[(diethylenetriamine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')palladium(II)] tetranitrate
Seidel, Rüdiger W.; Oppel, Iris M.; Acta Crystallographica Section C 67 (2011) m199–m201; doi:10.1107/S0108270111017586

data_2018103
_publ_section_title
;
 \m-2,2',6,6'-Tetramethyl-4,4'-bipyridine-\k^2^<i>N</i>^1^:<i>N</i>^1'^-bis[(diethylenetriamine-\k^3^<i>N</i>,<i>N</i>',<i>N</i>'')palladium(II)]
 tetranitrate
;
_journal_coeditor_code           GD3392
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m199
_journal_page_last               m201
_journal_paper_doi               10.1107/S0108270111017586
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Pd2 (C4 H13 N3)2 (C14 H16 N2)] (N O3)4'
_chemical_formula_moiety         'C22 H42 N8 Pd2 4+, 4(N O3 -)'
_chemical_formula_sum            'C22 H42 N12 O12 Pd2'
_chemical_formula_weight         879.48
_chemical_name_systematic
;
\m-2,2',6,6'-Tetramethyl-4,4'-bipyridine-\k^2^<i>N</i>^1^:<i>N</i>^1'^-
bis[(diethylenetriamine-\k^3^<i>N</i>,<i>N</i>',<i>N</i>'')palladium(II)]
tetranitrate
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 102.323(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   10.7697(6)
_cell_length_b                   8.0282(4)
_cell_length_c                   19.6442(12)
_cell_measurement_reflns_used    3950
_cell_measurement_temperature    110(2)
_cell_measurement_theta_max      28.1560
_cell_measurement_theta_min      3.1575
_cell_volume                     1659.33(16)
_computing_cell_refinement       'CrysAlis PRO (Agilent, 2011)'
_computing_data_collection       'CrysAlis PRO (Agilent, 2011)'
_computing_data_reduction        'CrysAlis PRO (Agilent, 2011)'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 2011)'
_computing_publication_material  'enCIFer (Allen <i>et al.</i>, 2004)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      110(2)
_diffrn_detector_area_resol_mean 8.4171
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.927
_diffrn_measurement_device_type  'Oxford Diffraction Xcalibur2'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0622
_diffrn_reflns_av_sigmaI/netI    0.0655
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            14710
_diffrn_reflns_theta_full        26.50
_diffrn_reflns_theta_max         28.22
_diffrn_reflns_theta_min         3.19
_exptl_absorpt_coefficient_mu    1.160
_exptl_absorpt_correction_T_max  0.9129
_exptl_absorpt_correction_T_min  0.7223
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(ABSPACK in CrysAlis PRO; Agilent, 2011)'
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    1.760
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             892
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.677
_refine_diff_density_min         -0.655
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.024
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     219
_refine_ls_number_reflns         3799
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.024
_refine_ls_R_factor_all          0.0706
_refine_ls_R_factor_gt           0.0382
_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^)+(0.0267P)^2^+0.5726P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0664
_refine_ls_wR_factor_ref         0.0764
_reflns_number_gt                2767
_reflns_number_total             3799
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            gd3392.cif
_cod_data_source_block           I
_cod_original_cell_volume        1659.33(17)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2018103
_cod_database_fobs_code          2018103