Information card for entry 7012403

Structure parameters

• Common name: (2,6-Trip2C6H3CS2)2TiCl2(py)2a2py
• Formula: C83 H113 Cl2 N O S4 Ti
• Calculated formula: C79 H89 Cl2 N S4 Ti
• 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: 12.7871 ± 0.0007 Å
• b: 16.9214 ± 0.0009 Å
• c: 20.3901 ± 0.0011 Å
• α: 80.002 ± 0.001°
• β: 78.03 ± 0.001°
• γ: 68.35 ± 0.001°
• Cell volume: 3988.6 ± 0.4 ų
• Cell temperature: 135 ± 2 K
• Ambient diffraction temperature: 135 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0827
• Residual factor for significantly intense reflections: 0.0619
• Weighted residual factors for significantly intense reflections: 0.1628
• Weighted residual factors for all reflections included in the refinement: 0.1722
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No