[Pd~8~(CH~3~COO)~8~(NO)~8~]: solution from X-ray powder diffraction data
Kirik, Sergei D.; Mulagaleev, Ruslan F.; Blokhin, Alexander I.; Acta Crystallographica Section C 61 (2005) m445–m447; doi:10.1107/S0108270105027095

data_2015211
_publ_contact_author
; Dr Sergei Kirik
   Institute of Chemistry and Chemical Technology,
   660049 Krasnoyarsk,
   Russian Federation
;
_publ_section_title
;
 [Pd~8~(CH~3~COO)~8~(NO)~8~]: solution from X-ray powder diffraction
 data
;
_journal_coeditor_code           SQ1216
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m445
_journal_page_last               m447
_journal_paper_doi               10.1107/S0108270105027095
_journal_volume                  61
_journal_year                    2005
_chemical_formula_analytical     (PdNO(CH3COO))
_chemical_formula_iupac          '[Pd8 (C2 H3 O2)8 (N O)8]'
_chemical_formula_moiety         'C16 H24 N8 O24 Pd8'
_chemical_formula_structural     '[Pd8 (C2 H3 O2)8 (NO)8]'
_chemical_formula_sum            'C16 H24 N8 O24 Pd8'
_chemical_formula_weight         1563.79
_chemical_name_common            octakis(nitroso-acetato-palladium(II))
_chemical_name_systematic
;
octakis(\m-acetato-\k^2^O:O)octakis(\m-nitroso-\k^2^N:O)octapalladium(II)
;
_space_group_IT_number           87
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-I 4'
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_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   17.5504(3)
_cell_length_b                   17.5504(3)
_cell_length_c                   6.8504(2)
_cell_measurement_temperature    293
_cell_volume                     2110.04(8)
_computing_cell_refinement       'POWDER (Kirik et al., 1979)'
_computing_data_collection       'DRON-4 data collection software'
_computing_data_reduction        ' '
_computing_molecular_graphics    'XP (Siemens, 1989)'
_computing_structure_refinement  'Modified DBWM'
_computing_structure_solution    'Modified DBWM (Wiles & Young, 1981)'
_diffrn_ambient_temperature      293
_diffrn_measurement_device       'DRON-4 powder diffractometer'
_diffrn_measurement_method       '\q/2\q scan'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'conventional sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.5418
_diffrn_reflns_av_R_equivalents  0
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       6
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            478
_diffrn_reflns_theta_max         45.
_diffrn_reflns_theta_min         2.5
_exptl_absorpt_coefficient_mu    27.652
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   none
_exptl_crystal_density_diffrn    2.461
_exptl_crystal_F_000             1472.0
_refine_ls_goodness_of_fit_all   1.39
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     45
_refine_ls_number_restraints     0
_refine_ls_shift/su_max          0.05
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_scheme      sigma
_reflns_number_total             478
_cod_data_source_file            sq1216.cif
_cod_data_source_block           global
_cod_original_sg_symbol_Hall     '-I 4 '
_cod_original_sg_symbol_H-M      'I 4/m '
_cod_database_code               2015211