Triethylammonium (indane-1,2,3-trione 1,2-dioximato-κ^2^<i>N</i>^1^,<i>O</i>^2^)(indane-1,2,3-trione 2-oximato 1-oxime-κ^2^<i>N</i>^1^,<i>O</i>^2^)nickel(II)
Zhong, Baoyun; Li, Shengli; Chen, Guifang; Acta Crystallographica Section E 68 (2012) m421–; doi:10.1107/S1600536812010458

data_2234434
_publ_section_title
;
 Triethylammonium (indane-1,2,3-trione
 1,2-dioximato-\k^2^<i>N</i>^1^,<i>O</i>^2^)(indane-1,2,3-trione 2-oximato
 1-oxime-\k^2^<i>N</i>^1^,<i>O</i>^2^)nickel(II)
;
_journal_coeditor_code           VM2155
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m421
_journal_paper_doi               10.1107/S1600536812010458
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac          '(C6 H16 N) [Ni (C9 H4 N2 O3) (C9 H5 N2 O3)]'
_chemical_formula_moiety         'C6 H16 N +, C18 H9 N4 Ni O6 -'
_chemical_formula_sum            'C24 H25 N5 Ni O6'
_chemical_formula_weight         538.20
_chemical_name_systematic
;
Triethylammonium (indane-1,2,3-trione
1,2-dioximato-\k^2^<i>N</i>^1^,<i>O</i>^2^)(indane-1,2,3-trione 2-oximato
1-oxime-\k^2^<i>N</i>^1^,<i>O</i>^2^)nickel(II)
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                80.785(6)
_cell_angle_beta                 87.639(6)
_cell_angle_gamma                72.217(6)
_cell_formula_units_Z            2
_cell_length_a                   9.710(5)
_cell_length_b                   10.470(5)
_cell_length_c                   12.156(6)
_cell_measurement_reflns_used    1572
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      21.3085
_cell_measurement_theta_min      2.7925
_cell_volume                     1161.6(10)
_computing_cell_refinement       'SAINT (Siemens, 1996)'
_computing_data_collection       'SMART (Siemens, 1996)'
_computing_data_reduction        'SAINT (Siemens, 1996)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'Siemens SMART CCD area-detector'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0271
_diffrn_reflns_av_sigmaI/netI    0.0719
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            6186
_diffrn_reflns_theta_full        25.02
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         2.46
_exptl_absorpt_coefficient_mu    0.888
_exptl_absorpt_correction_T_max  0.7583
_exptl_absorpt_correction_T_min  0.6908
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.539
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             560
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.33
_refine_diff_density_max         0.341
_refine_diff_density_min         -0.268
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.002
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     332
_refine_ls_number_reflns         4073
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.002
_refine_ls_R_factor_all          0.0748
_refine_ls_R_factor_gt           0.0441
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0150P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0684
_refine_ls_wR_factor_ref         0.0750
_reflns_number_gt                2650
_reflns_number_total             4073
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            vm2155.cif
_cod_data_source_block           I
_cod_database_code               2234434
_cod_database_fobs_code          2234434