Effect of metal ionic radius and chelate ring alternation motif on stabilization of trivalent nickel and copper in binuclear complexes with double cis-oximato bridges.
Kanderal, Olga M.; Kozlowski, Henryk; Dobosz, Agnieszka; Swiatek-Kozlowska, Jolanta; Meyer, Franc; Fritsky, Igor O.; Dalton transactions (Cambridge, England : 2003)  (2005) 1428–1437; doi:10.1039/b418598f

data_7008179
_publ_section_title
;
 Effect of metal ionic radius and chelate ring alternation motif on
 stabilization of trivalent nickel and copper in binuclear complexes
 with double cis-oximato bridges.
;
_journal_issue                   8
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1428
_journal_page_last               1437
_journal_paper_doi               10.1039/b418598f
_journal_year                    2005
_chemical_formula_sum            'C14 H32 N8 Ni2 O6'
_chemical_formula_weight         525.90
_chemical_name_common
;
(tris(2-aminoethyl)amine)-nickel(ii)(N,N'-bis(2-
Hydroxyiminopropionyl) ethane-1,2-diamine)-nickel(ii) dihydrate
;
_chemical_name_systematic
;
(tris(2-aminoethyl)amine)-nickel(II)(N,N'-bis(2-Hydroxyiminopropionyl)
ethane-1,2-diamine)-nickel(II) dihydrate
;
_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(3)
_cell_angle_beta                 96.77(3)
_cell_angle_gamma                90.00(3)
_cell_formula_units_Z            4
_cell_length_a                   7.743(2)
_cell_length_b                   14.627(3)
_cell_length_c                   19.177(4)
_cell_measurement_temperature    293(2)
_cell_volume                     2156.8(9)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.917
_diffrn_measured_fraction_theta_max 0.917
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       omega-scan
_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  0.0225
_diffrn_reflns_av_sigmaI/netI    0.0172
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            13666
_diffrn_reflns_theta_full        28.99
_diffrn_reflns_theta_max         28.99
_diffrn_reflns_theta_min         2.99
_exptl_absorpt_coefficient_mu    1.794
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.620
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1104
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.13
_refine_diff_density_max         0.928
_refine_diff_density_min         -0.869
_refine_diff_density_rms         0.095
_refine_ls_extinction_coef       0.0017(7)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.130
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     274
_refine_ls_number_reflns         5260
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.130
_refine_ls_R_factor_all          0.0513
_refine_ls_R_factor_gt           0.0477
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0656P)^2^+2.7719P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1262
_refine_ls_wR_factor_ref         0.1314
_reflns_number_gt                4839
_reflns_number_total             5260
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b418598f.txt
_cod_data_source_block           5
_cod_original_cell_volume        2156.8(8)
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               7008179