NO-disproportionation, promoted by Pd-cluster: formation and X-ray structure of Pd8(micro-CO)4(micro-OOCCMe3)8[micro-N(=O)O-]4.
Stromnova, Tatiana A; Shishilov, Oleg N; Churakov, Andrei V; Kuz'mina, Lyudmila G; Howard, Judith A K; Chemical communications (Cambridge, England)  (2007) 4800–4802; doi:10.1039/b710230e

data_7102289
_publ_section_title
;
 NO-disproportionation, promoted by Pd-cluster: formation and X-ray
 structure of Pd8(micro-CO)4(micro-OOCCMe3)8[micro-N(=O)O-]4.
;
_journal_issue                   45
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              4800
_journal_page_last               4802
_journal_paper_doi               10.1039/b710230e
_journal_year                    2007
_chemical_formula_moiety
'C44 H72 N4 O28 Pd8, C7 H8, 0.5(C6 H14), C6 H6, 0.5(C6 H6)'
_chemical_formula_sum            'C63 H96 N4 O28 Pd8'
_chemical_formula_weight         2208.64
_chemical_name_systematic
;
?
;
_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
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 114.518(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   20.2125(13)
_cell_length_b                   19.3904(13)
_cell_length_c                   23.8068(16)
_cell_measurement_reflns_used    7544
_cell_measurement_temperature    115(2)
_cell_measurement_theta_max      29.585
_cell_measurement_theta_min      2.273
_cell_volume                     8489.2(10)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      115(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker SMART'
_diffrn_measurement_method       \w
_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  0.0470
_diffrn_reflns_av_sigmaI/netI    0.0501
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            75538
_diffrn_reflns_theta_full        28.50
_diffrn_reflns_theta_max         28.50
_diffrn_reflns_theta_min         1.88
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.727
_exptl_absorpt_correction_T_max  0.7239
_exptl_absorpt_correction_T_min  0.6253
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1997)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.728
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             4376
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.20
_refine_diff_density_max         2.660
_refine_diff_density_min         -0.873
_refine_diff_density_rms         0.191
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.010
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     839
_refine_ls_number_reflns         21499
_refine_ls_number_restraints     27
_refine_ls_restrained_S_all      1.013
_refine_ls_R_factor_all          0.0814
_refine_ls_R_factor_gt           0.0513
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0837P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1270
_refine_ls_wR_factor_ref         0.1394
_reflns_number_gt                14784
_reflns_number_total             21499
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            b710230e.txt
_cod_data_source_block           p
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7102289