Aqueous V(V)-Peroxo-Amino Acid Chemistry. Synthesis, Structural and Spectroscopic Characterization of Unusual Ternary Dinuclear Tetraperoxo Vanadium(V)-Glycine Complexes
C. Gabriel; M. Kaliva; J. Venetis; P. Baran; I. Rodriguez-Escudero; G. Voyiatzis; M. Zervou; A. Salifoglou; Inorganic Chemistry 48 (2009) 476–487; doi:10.1021/ic801427b

data_4301195
_publ_section_title
;
Aqueous V(V)-Peroxo-Amino Acid Chemistry. Synthesis, Structural and
Spectroscopic Characterization of Unusual Ternary Dinuclear Tetraperoxo
Vanadium(V)-Glycine Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              476
_journal_page_last               487
_journal_paper_doi               10.1021/ic801427b
_journal_volume                  48
_journal_year                    2009
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_chemical_name_systematic
; 
 ? 
;
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_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
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_cell_angle_beta                 72.991(9)
_cell_angle_gamma                64.111(9)
_cell_formula_units_Z            2
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_cell_length_c                   12.010(7)
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_computing_cell_refinement       'Bruker SMART'
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_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      300(2)
_diffrn_measured_fraction_theta_full 0.880
_diffrn_measured_fraction_theta_max 0.880
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_diffrn_radiation_source         'fine-focus sealed tube'
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_diffrn_reflns_limit_h_min       -9
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_exptl_crystal_colour            orange
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0745P)^2^+0.4784P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1057
_refine_ls_wR_factor_ref         0.1134
_reflns_number_gt                2255
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_cod_data_source_file            ic801427b_si_004.cif
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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 
;
_cod_original_cell_volume        641.9(6)
_cod_original_formula_sum        'C2 H13.50 N O15.25 V2'
_cod_database_code               4301195