{2-[(2-Hydroxy-5-methylphenyl)iminomethyl]-4,6-dinitrophenolato(2 –)-<i>O</i>,<i>N</i>,<i>O</i>'}tris(3-methylpyridine-<i>N</i>)nickel(II)
Tahir, M. Nawaz; Ülkü, Dinçer; Atakol, Orhan; Bas̨gut, Özlem; Acta Crystallographica Section C 54 (1998) 623–625; doi:10.1107/S0108270197016545

data_2007208
_publ_section_title
;
 {2-[(2-Hydroxy-5-methylphenyl)iminomethyl]-4,6-dinitrophenolato(2
 --)-<i>O</i>,<i>N</i>,<i>O</i>'}tris(3-methylpyridine-<i>N</i>)nickel(II)
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              623
_journal_page_last               625
_journal_paper_doi               10.1107/S0108270197016545
_journal_volume                  54
_journal_year                    1998
_chemical_formula_moiety         'C32 H30 N6 Ni O6'
_chemical_formula_sum            'C32 H30 N6 Ni O6'
_chemical_formula_weight         653.343
_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_type_scat_source           IntTabIV
_cell_angle_alpha                96.706(2)
_cell_angle_beta                 93.109(3)
_cell_angle_gamma                105.188(2)
_cell_formula_units_Z            2
_cell_length_a                   10.309(2)
_cell_length_b                   11.451(2)
_cell_length_c                   13.361(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    295
_cell_measurement_theta_max      20.76
_cell_measurement_theta_min      11.43
_cell_volume                     1505.8(5)
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       '\w/2\q scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.016
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       0
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            5844
_diffrn_reflns_theta_max         25.46
_diffrn_reflns_theta_min         2.79
_diffrn_standards_decay_%        <1.0
_diffrn_standards_interval_time  120
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.697
_exptl_absorpt_correction_T_max  0.920
_exptl_absorpt_correction_T_min  0.900
_exptl_absorpt_correction_type   'empirical via \y scans (Fair, 1990)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.436
_exptl_crystal_density_meas      ?
_exptl_crystal_description       prism
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.64
_refine_diff_density_min         -0.10
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   0.83
_refine_ls_hydrogen_treatment    'H atoms riding, see text'
_refine_ls_number_parameters     406
_refine_ls_number_reflns         4131
_refine_ls_R_factor_obs          .042
_refine_ls_shift/esd_max         0.00024
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme
;
w = 1/[\s(F^2^) + (0.02F)^2^ + 1.0],
except w = 0 if F^2^ < 2\s(F^2^)
;
_refine_ls_wR_factor_obs         .047
_reflns_number_observed          4131
_reflns_number_total             5549
_reflns_observed_criterion       I>2\s(I)
_cod_data_source_file            bm1157.cif
_cod_data_source_block           ohnapy3ch3
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_cell_volume        1505.9(5)
_cod_database_code               2007208