Information card for entry 4304821

Structure parameters

• Formula: C33 H33 Mo O7 P S3
• Calculated formula: C33 H33 Mo O7 P S3
• SMILES: [Mo](=S)(=S)([S-])OC(CC(=O)OC)(CC(=O)OC)C(=O)OC.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Trithio-Chloro Molybdate [MoClS3]-: A Versatile Precursor for Molybdenum Trisulfido Complexes
• Authors of publication: Jun-ichi Ito; Yasuhiro Ohki; Masatoshi Iwata; Kazuyuki Tatsumi
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 3763 - 3771
• a: 8.787 ± 0.002 Å
• b: 17.862 ± 0.004 Å
• c: 22.379 ± 0.005 Å
• α: 90°
• β: 94.839 ± 0.002°
• γ: 90°
• Cell volume: 3499.9 ± 1.4 ų
• Cell temperature: 173.2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for all reflections included in the refinement: 0.0468
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No