Crystal Structures and Magnetic Properties of Complexes of MIICl2 (M = Cu, Ni, and Co) Coordinated with 4-(N-tert-butyloxyamino)-2-(methoxymethylenyl)pyridine: 2D Magnetic Anisotropy of the Aminoxyl-CoII Complex in the Crystalline State
Zhicheng Zhu; Satoru Karasawa; Noboru Koga; Inorganic Chemistry 44 (2005) 6004–6011; doi:10.1021/ic048441x

data_4309395
_publ_section_title
;
Crystal Structures and Magnetic Properties of Complexes of MIICl2 (M = Cu,
Ni, and Co) Coordinated with
4-(N-tert-butyloxyamino)-2-(methoxymethylenyl)pyridine: 2D Magnetic
Anisotropy of the Aminoxyl-CoII Complex in the Crystalline State
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_journal_name_full               'Inorganic Chemistry'
_journal_page_first              6004
_journal_page_last               6011
_journal_paper_doi               10.1021/ic048441x
_journal_volume                  44
_journal_year                    2005
_chemical_formula_moiety         'C22 H34 Cl2 Co N4 O4 '
_chemical_formula_sum            'C22 H34 Cl2 Co N4 O4'
_chemical_formula_weight         548.37
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 135.128(8)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   20.132(3)
_cell_length_b                   11.218(3)
_cell_length_c                   16.201(3)
_cell_measurement_reflns_used    4056
_cell_measurement_temperature    123.1
_cell_measurement_theta_max      27.3
_cell_measurement_theta_min      3.3
_cell_volume                     2581.4(10)
_computing_cell_refinement       Unknown
_computing_data_collection       Unknown
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure Ver. 3.5.1'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR92
_diffrn_measured_fraction_theta_full 0.9971
_diffrn_measured_fraction_theta_max 0.9971
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.052
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            25264
_diffrn_reflns_theta_full        27.46
_diffrn_reflns_theta_max         27.46
_exptl_absorpt_coefficient_mu    0.906
_exptl_absorpt_correction_T_max  0.939
_exptl_absorpt_correction_T_min  0.705
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.411
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       chunk
_exptl_crystal_F_000             1148.00
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.07
_refine_diff_density_max         0.49
_refine_diff_density_min         -0.26
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.405
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     167
_refine_ls_number_reflns         2340
_refine_ls_R_factor_gt           0.0340
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     'w = 1.0'
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_ref         0.0700
_reflns_number_gt                2329
_reflns_number_total             3103
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ic048441xsi20041105_094937.cif
_cod_data_source_block           '_201-150C_________________'
_cod_depositor_comments
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The following automatic conversions were performed:

'_exptl_absorpt_correction_type' tag value 'psi-scans' was replaced
with 'psi-scan' value.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
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_cod_original_cell_volume        2581.5(8)
_cod_original_formula_sum        'C22 H34 Cl2 Co N4 O4 '
_cod_database_code               4309395