Information card for entry 7702106

Structure parameters

• Formula: C2 H6 Cl3 Nb O S
• Calculated formula: C2 H6 Cl3 Nb O S
• Title of publication: Niobium tetrachloride complexes with thio-, seleno- and telluro-ether coordination - synthesis and structures.
• Authors of publication: Chang, Yao-Pang; Levason, William; Light, Mark E.; Reid, Gillian
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 41
• Pages of publication: 16262 - 16274
• a: 14.3522 ± 0.0011 Å
• b: 14.9254 ± 0.0007 Å
• c: 7.9099 ± 0.0005 Å
• α: 90°
• β: 97.049 ± 0.007°
• γ: 90°
• Cell volume: 1681.59 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0743
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.0694
• Weighted residual factors for all reflections included in the refinement: 0.08
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No