Information card for entry 7045432

Structure parameters

• Formula: C4 H12 Cl4 Mo S2
• Calculated formula: C4 H12 Cl4 Mo S2
• SMILES: C[S](C)[Mo](Cl)([S](C)C)(Cl)(Cl)Cl
• Title of publication: Synthesis and properties of MoCl₄ complexes with thio- and seleno-ethers and their use for chemical vapour deposition of MoSe₂ and MoS₂ films.
• Authors of publication: Chang, Yao-Pang; Hector, Andrew L.; Levason, William; Reid, Gillian; Whittam, Joshua
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 7
• Pages of publication: 2406 - 2414
• a: 10.7754 ± 0.0004 Å
• b: 8.6531 ± 0.0004 Å
• c: 13.0339 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1215.29 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.027
• Residual factor for significantly intense reflections: 0.0208
• Weighted residual factors for significantly intense reflections: 0.0439
• Weighted residual factors for all reflections included in the refinement: 0.0457
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No