C3 Vanadium(V) Amine Triphenolate Complexes: Vanadium Haloperoxidase Structural and Functional Models
Miriam Mba; Marta Pontini; Silvia Lovat; Cristiano Zonta; Gerald Bernardinelli; Peter E. Kündig; Giulia Licini; Inorganic Chemistry 47 (2008) 8616–8618; doi:10.1021/ic8015113

data_4306694
_publ_contact_author
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     Dr Gerald Bernardinelli
     Laboratory of X-ray Crystallography
     University of Geneva
     24, quai E. Ansermet
     CH - 1211 Geneva 4
     Switzerland
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_publ_contact_author_email       gerald.bernardinelli@cryst.unige.ch
_publ_contact_author_fax         '41 22 379 61 08'
_publ_contact_author_phone       '41 22 379 62 02'
_publ_section_title
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C3 Vanadium(V) Amine Triphenolate Complexes: Vanadium Haloperoxidase
Structural and Functional Models
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_journal_name_full               'Inorganic Chemistry'
_journal_page_first              8616
_journal_page_last               8618
_journal_paper_doi               10.1021/ic8015113
_journal_volume                  47
_journal_year                    2008
_chemical_formula_moiety         'C33 H42 N O4 V'
_chemical_formula_sum            'C33 H42 N O4 V'
_chemical_formula_weight         567.7
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_cell_angle_gamma                92.825(8)
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_cell_length_c                   17.6222(12)
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_diffrn_measurement_device_type  'Stoe Ipds'
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_exptl_absorpt_coefficient_mu    .36
_exptl_absorpt_correction_T_max  .9626
_exptl_absorpt_correction_T_min  .928
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'XRED; Stoe & Cie, 1999'
_exptl_crystal_colour            'dark red'
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_refine_ls_abs_structure_details none
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_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     \w=1/[\s^2^(Fo)+0.00015(Fo^2^)]
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_reflns_threshold_expression     'refl observed if Fo > 2.99 \s(Fo)'
_cod_data_source_file            ic8015113_si_002.cif
_cod_data_source_block           ONTI
_cod_depositor_comments
;
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 
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_cod_database_code               4306694