Chelating or Bridging? Halide-Controlled Binding Mode of Diamido Donor Ligands in Iron(III) Complexes
Anjan Kumar Das; Zohreh Moatazedi; Garry Mund; Andrew J. Bennet; Raymond J. Batchelor; Daniel B. Leznoff; Inorganic Chemistry 46 (2007) 366–368; doi:10.1021/ic061832m

data_4307295
_publ_contact_author_address
; 
 Department of Chemistry
 Simon Fraser University
 Burnaby, British Columbia
 Canada   V5A 1S6 
;
_publ_contact_author_email       dleznoff@sfu.ca
_publ_contact_author_fax         604-291-3765
_publ_contact_author_name        'Leznoff, Daniel B.'
_publ_contact_author_phone       604-291-4887
_publ_section_title
;
Chelating or Bridging? Halide-Controlled Binding Mode of Diamido Donor
Ligands in Iron(III) Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              366
_journal_page_last               368
_journal_paper_doi               10.1021/ic061832m
_journal_volume                  46
_journal_year                    2007
_chemical_formula_moiety         ' C44 H68 Fe2 N4 O2 Si4 '
_chemical_formula_sum            'C44 H68 Fe2 N4 O2 Si4'
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_atom_sites_solution_primary     direct
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_cell_length_b                   11.575(4)
_cell_length_c                   19.840(4)
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_computing_cell_refinement       'NRC DIFRAC'
_computing_data_collection       'NRC DIFRAC'
_computing_data_reduction        'NRCVAX DATRD2'
_computing_molecular_graphics    'Ortep-3 & PovRay'
_computing_publication_material  CRYSTALS
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    'SIR 92'
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_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Enraf-Nonius CAD4'
_diffrn_measurement_method       \w/2\q
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_diffrn_reflns_limit_k_min       0
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_diffrn_reflns_limit_l_min       -20
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_diffrn_reflns_theta_min         2.154
_diffrn_source_current           16.0000
_diffrn_source_voltage           46.0000
_diffrn_standards_decay_%        1.188
_diffrn_standards_interval_count 36
_diffrn_standards_interval_time  300
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_exptl_absorpt_coefficient_mu    0.734
_exptl_absorpt_correction_T_max  0.847639
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_exptl_absorpt_correction_type   psi-scan
_exptl_crystal_colour            ' yellow '
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_refine_ls_structure_factor_coef F
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;
 w=1/[\s^2^(F^2^) + (0.01*P)^2^] 
where P=1*max(Fo^2^,0)
;
_refine_ls_weighting_scheme      calc
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_reflns_limit_h_min              -11
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_reflns_threshold_expression     I>2.50u(I)
_oxford_diffrn_Wilson_B_factor   3.22
_oxford_diffrn_Wilson_scale      0.73
_oxford_refine_ls_scale          1.2441(17)
_cod_data_source_file            ic061832msi20061117_085258_2.cif
_cod_data_source_block           '[(NON)Fe]2'
_cod_depositor_comments
;
The following automatic conversions were performed:
'_exptl_absorpt_correction_type' value 'Psi-Scan' changed to 'psi-scan'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_refine_ls_matrix_type' value 'Full' changed to 'full'
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 
;
_cod_original_sg_symbol_H-M      'P -1 '
_cod_original_formula_sum        ' C44 H68 Fe2 N4 O2 Si4 '
_cod_database_code               4307295