Oxygenation of heterodinuclear di(μ-phenoxo) CoIIMII (M = Mn, Fe or Co) complexes having a “Co(salen)” entity in a macrocyclic framework †
Furutachi, Hideki; Fujinami, Shuhei; Suzuki, Masatatsu; Ōkawa, Hisashi; Journal of the Chemical Society, Dalton Transactions  (1999) 2197–; doi:10.1039/a903099i

data_7027477
_publ_contact_author
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    ENTER NAME
 ENTER ADDRESS
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_publ_section_title
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 Oxygenation of heterodinuclear di(\m-phenoxo) CoIIMII
 (M&#x2005;=&#x2005;Mn, Fe or Co) complexes having a
 &#x201C;Co(salen)&#x201D; entity in a macrocyclic
 framework&#x200A;&#x2020;
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_journal_issue                   13
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              2197
_journal_paper_doi               10.1039/a903099i
_journal_year                    1999
_chemical_formula_sum            'C60 H72 Cl2 Co4 N14 O18'
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_symmetry_cell_setting           triclinic
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_audit_creation_date             'Thu Apr  9 17:09:42 1998'
_audit_creation_method           'from TEXRAY.INF file'
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_cell_angle_beta                 110.540(8)
_cell_angle_gamma                82.378(9)
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_cell_length_b                   17.962(2)
_cell_length_c                   13.820(2)
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_cell_measurement_theta_max      14.59
_cell_measurement_theta_min      12.60
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_computing_cell_refinement       'MSC/AFC Diffractometer Control'
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_computing_data_reduction        teXsan
_computing_publication_material  teXsan
_computing_structure_refinement  teXsan
_computing_structure_solution    SHELXS86
_diffrn_ambient_temperature      193.15
_diffrn_measurement_device       'Rigaku RAXISII'
_diffrn_orient_matrix_UB_11      0.00000
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_diffrn_orient_matrix_UB_32      0.00000
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_diffrn_radiation_detector       'Imaging Plate'
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_diffrn_radiation_source         'Rigaku rotating anode'
_diffrn_radiation_type           'Mo Ka'
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_diffrn_standards_decay_%        0.00
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_refine_ls_hydrogen_treatment    noref
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_refine_ls_shift/esd_mean        0.0020
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[s2(Fo)] = [s 2c(Fo) + p2Fo2/4]- 1'
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_reflns_number_observed          9158
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_reflns_observed_criterion       >3.0sigma(I)
_cod_data_source_file            903099isup1.cif
_cod_data_source_block           (oxy-3)
_cod_depositor_comments
;
The following automatic conversions were performed:

'_cell_measurement_temperature' value '-80' was changed to '193.15' -
it was converted from degrees Celsius(C) to
Kelvins(K).

'_diffrn_ambient_temperature' value '-80' was changed to
'193.15' - it was converted from degrees Celsius(C) to Kelvins(K).

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 

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 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w = 1/[s2(Fo)] = [s 2c(Fo) +
p2Fo2/4]- 1 ' was changed to 'calc'. New tag
'_refine_ls_weighting_details' was created. The value of the new tag
was set to 'w = 1/[s2(Fo)] = [s 2c(Fo) + p2Fo2/4]- 1'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        3395.9(7)
_cod_original_sg_symbol_H-M      'P -1         '
_cod_original_formula_sum        'C60 H72 Cl2 Co4 N14 O18 '
_cod_database_code               7027477