Information card for entry 2202277

Structure parameters

• Common name: [VCl2(thf)2(tBuNCH2CH2NtBu)]
• Chemical name: Dichlorobis(tetrahydrofuran)N,N'-di-tert-buthylethane-1,2-diaminevanadium(II)
• Formula: C18 H38 Cl2 N2 O2 V
• Calculated formula: C18 H38 Cl2 N2 O2 V
• SMILES: N1([V]([O]2CCCC2)(Cl)(N(CC1)C(C)(C)C)([O]1CCCC1)Cl)C(C)(C)C
• Title of publication: Dichlorobis(tetrahydrofuran)(<i>N,N</i>'-di-<i>tert</i>-butylethane-1,2-diamine)vanadium(II)
• Authors of publication: Niedwieski, Antonio Carlos; Leigh, G. Jeffery; Hasegawa, Tai; Nunes, Fábio Souza
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 10
• Pages of publication: m939 - m941
• a: 20.915 ± 0.002 Å
• b: 10.3733 ± 0.0009 Å
• c: 11.4042 ± 0.0013 Å
• α: 90°
• β: 113.236 ± 0.005°
• γ: 90°
• Cell volume: 2273.5 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0728
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.1266
• Weighted residual factors for all reflections included in the refinement: 0.1366
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes