<i>trans</i>-Bis(2-hydroxyiminopropionato-<i>N</i>,<i>O</i>)dimethanolnickel(II) dimethanol solvate, [Ni{CH~3~C(NOH)COO}~2~(CH~3~OH)~2~].2CH~3~OH
Lampeka, R.D.; Dudarenko, N.M.; Skopenko, V.V.; Acta Crystallographica Section C 50 (1994) 706–708; doi:10.1107/S0108270193011187

data_2009663
_publ_section_title
;<i>trans</i>-Bis(2-hydroxyiminopropionato-<i>N</i>,<i>O</i>)dimethanolnickel(II)
 dimethanol solvate, [Ni{CH~3~C(NOH)COO}~2~(CH~3~OH)~2~].2CH~3~OH
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              706
_journal_page_last               708
_journal_paper_doi               10.1107/S0108270193011187
_journal_volume                  50
_journal_year                    1994
_chemical_formula_sum            'C10 H24 N2 Ni O10'
_chemical_formula_weight         391.0
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                107.25(3)
_cell_angle_beta                 98.85(3)
_cell_angle_gamma                104.59(3)
_cell_formula_units_Z            1
_cell_length_a                   6.436(3)
_cell_length_b                   7.681(3)
_cell_length_c                   9.637(3)
_cell_measurement_reflns_used    20
_cell_measurement_temperature    118
_cell_measurement_theta_max      50
_cell_measurement_theta_min      30
_cell_volume                     426.6(3)
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \w
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            1399
_diffrn_reflns_theta_max         60
_diffrn_standards_decay_%        0.9837-1.0376
_diffrn_standards_interval_count 100
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.19
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            'light blue'
_exptl_crystal_density_diffrn    1.52
_exptl_crystal_description       stick
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.65
_refine_diff_density_min         -0.43
_refine_ls_extinction_method     none
_refine_ls_number_parameters     118
_refine_ls_number_reflns         1192
_refine_ls_R_factor_obs          0.034
_refine_ls_shift/esd_max         0.23
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 4F~o~^2^/[\s(F~o~)^2^]^2^'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.060
_reflns_number_observed          1192
_reflns_number_total             1268
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            ab1092.cif
_cod_data_source_block           ab1092a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '4F~o~^2^/[\s(F~o~)^2^]^2^' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to 'w =
4F~o~^2^/[\s(F~o~)^2^]^2^'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        427
_cod_original_formula_sum        'C10 H24 N2 Ni1 O10'
_cod_database_code               2009663