Information card for entry 7702102

Structure parameters

• Formula: C5 H12 Cl4 Nb S2
• Calculated formula: C5 H12 Cl4 Nb S2
• 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: 9.964 ± 0.003 Å
• b: 9.964 ± 0.003 Å
• c: 25.113 ± 0.012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2493.3 ± 1.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 122
• Hermann-Mauguin space group symbol: I -4 2 d
• Hall space group symbol: I -4 2bw
• Residual factor for all reflections: 0.0821
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.1205
• Weighted residual factors for all reflections included in the refinement: 0.1338
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No