Information card for entry 7012404

Structure parameters

• Common name: (2,6-Trip2C6H3CS2)2VCl(py)2a2py
• Formula: C94 H118 Cl N4 S4 V
• Calculated formula: C84 H101 Cl N2 S4 V
• Title of publication: Lithium, titanium and vanadium dithiocarboxylatesElectronic supplementary information (ESI) available: additional crystallographic details. See http://www.rsc.org/suppdata/dt/b2/b210691d/
• Authors of publication: Ives, Christina; Fillis, Elaine L.; Hagadorn, John R.
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 4
• Pages of publication: 527
• a: 22.648 ± 0.002 Å
• b: 13.5721 ± 0.0013 Å
• c: 29.404 ± 0.003 Å
• α: 90°
• β: 105.288 ± 0.002°
• γ: 90°
• Cell volume: 8718.4 ± 1.4 ų
• Cell temperature: 135 ± 2 K
• Ambient diffraction temperature: 135 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1042
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.13
• Weighted residual factors for all reflections included in the refinement: 0.1456
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No