Hydrothermal Synthesis of Vanadium Oxyfluoride Chains Incorporating Covalently Bound Copper Coordination Complexes
Thushitha Mahenthirarajah; Yang Li; Philip Lightfoot; Inorganic Chemistry 47 (2008) 9097–9102; doi:10.1021/ic801106h

data_4306200
_publ_contact_author_address
;
School of Chemistry
University of St Andrews
St Andrews
Fife
KY16 9ST
UNITED KINGDOM
;
_publ_contact_author_email       PL@ST-ANDREWS.AC.UK
_publ_contact_author_name        'Dr Philip Lightfoot'
_publ_section_title
;
Hydrothermal Synthesis of Vanadium Oxyfluoride Chains Incorporating
Covalently Bound Copper Coordination Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              9097
_journal_page_last               9102
_journal_paper_doi               10.1021/ic801106h
_journal_volume                  47
_journal_year                    2008
_chemical_formula_moiety         'C20 H20 Cu2 F2 N6 O7 V2'
_chemical_formula_sum            'C20 H20 Cu2 F2 N6 O7 V2'
_chemical_formula_weight         723.40
_chemical_name_systematic
;
 ?
;
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_computing_cell_refinement       'CrystalClear (Rigaku Inc., 2007)'
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_computing_data_reduction        'CrystalClear (Rigaku Inc., 2007)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
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_computing_structure_solution    'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      93(2)
_diffrn_detector_area_resol_mean 0.83
_diffrn_measured_fraction_theta_full 0.945
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_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       dtprofit.ref
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_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         28.79
_diffrn_reflns_theta_min         2.44
_exptl_absorpt_coefficient_mu    2.657
_exptl_absorpt_correction_T_max  0.876
_exptl_absorpt_correction_T_min  0.853
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_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    2.066
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
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_refine_diff_density_rms         0.202
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
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_refine_ls_number_reflns         2209
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_refine_ls_restrained_S_all      1.120
_refine_ls_R_factor_all          0.0889
_refine_ls_R_factor_gt           0.0734
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1067P)^2^+0.8272P] where P=(Fo^2^+2Fc^2^)/3'
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