Information card for entry 7043432

Structure parameters

• Formula: C8 H18 Cl3 Nb S3
• Calculated formula: C8 H18 Cl3 Nb S3
• SMILES: [Nb]1(Cl)(Cl)(Cl)([S](C(C)C)CC[S]1C(C)C)=S
• Title of publication: Chalcogenoether complexes of Nb(V) thio- and seleno-halides as single source precursors for low pressure chemical vapour deposition of NbS2 and NbSe2 thin films
• Authors of publication: Chang, Yao-Pang; Hector, Andrew L.; Levason, William; Reid, Gillian
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 8.7791 ± 0.0002 Å
• b: 9.1658 ± 0.0002 Å
• c: 19.6825 ± 0.0005 Å
• α: 90°
• β: 98.753 ± 0.002°
• γ: 90°
• Cell volume: 1565.36 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0504
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0839
• Weighted residual factors for all reflections included in the refinement: 0.0907
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No