Information card for entry 7045433

Structure parameters

• Formula: C5 H12 Cl4 Mo S2
• Calculated formula: C5 H12 Cl4 Mo S2
• SMILES: [Mo]1([S](C)CCC[S]1C)(Cl)(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: 6.9578 ± 0.0003 Å
• b: 7.323 ± 0.0002 Å
• c: 12.584 ± 0.0005 Å
• α: 77.467 ± 0.003°
• β: 81.727 ± 0.003°
• γ: 72.082 ± 0.003°
• Cell volume: 593.49 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0218
• Residual factor for significantly intense reflections: 0.0194
• Weighted residual factors for significantly intense reflections: 0.0516
• Weighted residual factors for all reflections included in the refinement: 0.0528
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No