Structure, magnetic properties and epoxidation activity of iron(III) salicylaldimine complexes
Shyu, Huey-Lih; Wei, Ho-Hsiang; Lee, Gene-Hsaing; Wang, Yu; Journal of the Chemical Society, Dalton Transactions  (2000) 915–; doi:10.1039/a908648j

data_7009109
_publ_section_title
;
 Structure, magnetic properties and epoxidation activity of iron(III)
 salicylaldimine complexes
;
_journal_issue                   6
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              915
_journal_paper_doi               10.1039/a908648j
_journal_year                    2000
_chemical_formula_moiety         'C20.33 H24 N2 O5 Fe Cl2 '
_chemical_formula_sum            'C20.33 H24 Cl2 Fe N2 O5'
_chemical_formula_weight         503.17
_chemical_name_systematic        ?
_space_group_IT_number           148
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-R 3'
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_cell_angle_beta                 90.0
_cell_angle_gamma                120.0
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_cell_length_c                   18.061(6)
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_cell_measurement_temperature    295
_cell_measurement_theta_max      9.79
_cell_measurement_theta_min      7.82
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_computing_cell_refinement       'NONIUS CAD4'
_computing_data_collection       'NONIUS CAD4'
_computing_data_reduction        'NRCVAX DATRD2'
_computing_molecular_graphics    'NRCVAX ORTEP'
_computing_publication_material  'NRCVAX TABLES'
_computing_structure_refinement  'NRCVAX LSTSQ'
_computing_structure_solution    'NRCVAX SOLVER'
_diffrn_ambient_temperature      295
_diffrn_measurement_device       'Nonius CAD-4    '
_diffrn_measurement_method       'Theta/2theta scan b/P/b '
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'xray tube'
_diffrn_radiation_type           'Molybdenum K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.010
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       0
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_diffrn_reflns_limit_l_min       0
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_diffrn_standards_decay_%        0.0
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_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.83
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_exptl_absorpt_correction_T_min  0.9308
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_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/(\s^2^(F)+0.0001F^2^)'
_refine_ls_weighting_scheme      calc
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_cod_data_source_file            a908648j.txt
_cod_data_source_block           ic4649
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Trigonal' changed to 'trigonal' according
to '/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '1/(\s^2^(F)+0.0001F^2^)' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to 'w =
1/(\s^2^(F)+0.0001F^2^)'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        9924(4)
_cod_original_sg_symbol_H-M      'R -3'
_cod_original_formula_sum        'C20.33 H24 N2 O5 Fe Cl2 '
_cod_database_code               7009109