Acetate/Di-2-pyridyl Ketone Oximate "Blend" as a Source of High-Nuclearity Nickel(II) Clusters: Dependence of the Nuclearity on the Nature of the Inorganic Anion Present
Theocharis C. Stamatatos; Eleanna Diamantopoulou; Catherine P. Raptopoulou; Vassilis Psycharis; Albert Escuer; Spyros P. Perlepes; Inorganic Chemistry 46 (2007) 2350–2352; doi:10.1021/ic062262t

data_4307762
_publ_section_title
;
Acetate/Di-2-pyridyl Ketone Oximate "Blend" as a Source of
High-Nuclearity Nickel(II) Clusters: Dependence of the Nuclearity on the
Nature of the Inorganic Anion Present
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2350
_journal_page_last               2352
_journal_paper_doi               10.1021/ic062262t
_journal_volume                  46
_journal_year                    2007
_chemical_formula_sum            'C48.5 H56.4 N9 Ni5 O21.7'
_chemical_formula_weight         1406.18
_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                 113.630(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.8789(15)
_cell_length_b                   25.140(2)
_cell_length_c                   18.2298(16)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    298
_cell_measurement_theta_max      27
_cell_measurement_theta_min      11
_cell_volume                     7086.9(11)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1986)'
_diffrn_ambient_temperature      298
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'P21 Nicolet upgraded by Crystal Logic'
_diffrn_measurement_method       \q/2\q
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54180
_diffrn_reflns_av_R_equivalents  0.0715
_diffrn_reflns_av_sigmaI/netI    0.0579
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       0
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       0
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            8818
_diffrn_reflns_theta_full        53.81
_diffrn_reflns_theta_max         53.81
_diffrn_reflns_theta_min         3.18
_diffrn_standards_decay_%        -2.9
_diffrn_standards_interval_count 97
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    2.052
_exptl_absorpt_correction_T_max  1.00
_exptl_absorpt_correction_T_min  0.63
_exptl_absorpt_correction_type   'psi-scan empirical'
_exptl_crystal_colour            red-orange
_exptl_crystal_density_diffrn    1.318
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       parall
_exptl_crystal_F_000             2896
_exptl_crystal_size_max          0.54
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.895
_refine_diff_density_min         -0.679
_refine_diff_density_rms         0.122
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.083
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     782
_refine_ls_number_reflns         8461
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.083
_refine_ls_R_factor_all          0.1040
_refine_ls_R_factor_gt           0.0764
_refine_ls_shift/su_max          0.033
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1585P)^2^+9.0122P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2058
_refine_ls_wR_factor_ref         0.2438
_reflns_number_gt                6180
_reflns_number_total             8461
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic062262tsi20061128_095107.cif
_cod_data_source_block           ped787
_cod_original_cell_volume        7086.8(10)
_cod_original_formula_sum        'C48.50 H56.40 N9 Ni5 O21.70'
_cod_database_code               4307762