Information card for entry 4305915

Structure parameters

• Formula: C57 H49 Cl2 Mo N O P2 S7
• Calculated formula: C57 H48 Cl2 Mo N O P2 S7
• SMILES: [Mo]12(=S)(SSSS1)Sc1c(S2)c(Cl)ccc1Cl.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.O=CN(C)C
• Title of publication: A New Class of Sulfido/Oxo(dithiolene)-Molybdenum(IV) Complexes Derived from Sulfido/Oxo-Bis(tetrasulfido)molybdenum(IV) Anions
• Authors of publication: Hideki Sugimoto; Koichiro Suyama; Kunihisa Sugimoto; Hiroyuki Miyake; Isao Takahashi; Shun Hirota; Shinobu Itoh
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 10150 - 10157
• a: 10.421 ± 0.0013 Å
• b: 13.5187 ± 0.0015 Å
• c: 20.424 ± 0.003 Å
• α: 80.555 ± 0.007°
• β: 88.458 ± 0.007°
• γ: 75.768 ± 0.006°
• Cell volume: 2750.9 ± 0.6 ų
• Cell temperature: 113.1 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0723
• Weighted residual factors for all reflections included in the refinement: 0.1729
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No