Isolation and Detailed Characterization of the trans-[(H2O)2FeCl4]- Anion: Stabilization of Novel Iron(III) Species by Large Organic Cations
Bruce D. James; Margarita Bakalova; John Liesegang; William Michael Reiff; Brian W. Skelton; Allan H. White; Inorganic Chemistry 40 (2001) 4617–4622; doi:10.1021/ic001264p

data_4320149
_publ_contact_author_address
;
   Department of Chemistry
   University of Western Australia
   35 Stirling Hwy,
   Crawley,
   Western Australia 6009,
   Australia
;
_publ_contact_author_email       bws@crystal.uwa.edu.au
_publ_contact_author_fax         (+61)_08_9380_1118
_publ_contact_author_name        'Skelton, B. W.'
_publ_contact_author_phone       (+61)_08-9380_3481
_publ_section_title
;
 Isolation and Detailed Characterization of the trans-[(H2O)2FeCl4]-
 Anion: Stabilization of Novel Iron(III) Species by Large Organic Cations
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4617
_journal_page_last               4622
_journal_paper_doi               10.1021/ic001264p
_journal_volume                  40
_journal_year                    2001
_chemical_formula_sum            'C2 H12 Cl5 Fe N2 O'
_chemical_formula_weight         313.24
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
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_cell_angle_beta                 90.00000
_cell_angle_gamma                90.00000
_cell_formula_units_Z            4
_cell_length_a                   14.531(6)
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_cell_measurement_temperature    293
_cell_measurement_theta_max      31.0
_cell_measurement_theta_min      26.1
_cell_volume                     1078.2(7)
_computing_cell_refinement       'Syntex  software'
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_computing_data_reduction        xtal
_computing_molecular_graphics    xtal
_computing_publication_material  'xtal BONDLA CIFIO'
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_diffrn_measurement_device_type
;
  Syntex P21 diffractometer
;
_diffrn_measurement_method       '2\q-\w scans'
_diffrn_radiation_detector       'scintillation counter'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
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_exptl_absorpt_coefficient_mu    2.59
_exptl_absorpt_correction_T_max  .72
_exptl_absorpt_correction_T_min  .61
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details
;
 XTAL absorb             
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.93
_exptl_crystal_description       prism
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_refine_diff_density_min         -.5
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_refine_ls_goodness_of_fit_ref   1.388
_refine_ls_hydrogen_treatment    noref
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_refine_ls_number_restraints     0
_refine_ls_R_factor_all          .054
_refine_ls_R_factor_gt           .033
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_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         .037
_refine_ls_wR_factor_ref         .032
_reflns_limit_h_max              18
_reflns_limit_h_min              0
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_reflns_limit_k_min              0
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_reflns_limit_l_min              0
_reflns_number_gt                1295
_reflns_number_observed          1295
_reflns_number_total             1793
_reflns_threshold_expression     'I    > 3.00 sig(I   )'
_cod_data_source_file            ic001264p_2.cif
_cod_data_source_block           enfecl
_cod_original_sg_symbol_Hall     p_2ac_2ab
_cod_original_formula_sum        'C2 H12 Cl5 Fe1 N2 O1'
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