Fe(III)/Fe(II) regular charge order in metal-organic framework.
Medina, Manuela Eloísa; Dumont, Yves; Grenèche, Jean-Marc; Millange, Franck; Chemical communications (Cambridge, England) 46 (2010) 7987–7989; doi:10.1039/c0cc02161j

data_7105640
_publ_section_title
;
 Fe(III)/Fe(II) regular charge order in metal-organic framework.
;
_journal_issue                   42
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              7987
_journal_page_last               7989
_journal_paper_doi               10.1039/c0cc02161j
_journal_volume                  46
_journal_year                    2010
_chemical_formula_sum            'C18 H16 Fe2 N O10'
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_chemical_name_systematic
;
?
;
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_computing_cell_refinement       'Bruker SMART'
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_diffrn_detector_area_resol_mean 512x512
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_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
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_exptl_absorpt_coefficient_mu    1.362
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_exptl_absorpt_correction_T_min  0.7723
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            'ligth orange'
_exptl_crystal_density_diffrn    1.554
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             263
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_exptl_crystal_size_min          0.06
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_refine_ls_extinction_coef       0.0037(15)
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_refine_ls_shift/su_mean         0.004
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0841P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1465
_refine_ls_wR_factor_ref         0.1507
_reflns_number_gt                1329
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_reflns_threshold_expression     >2sigma(I)
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_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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 

 Adding full bibliography for 7105640.cif.
;
_cod_original_cell_volume        553.6(2)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7105640