Information card for entry 4303900

Structure parameters

• Common name: [Mo2(DAniF)3]2(SCH3NCCNCH3S), 1.5(CH2Cl2)
• Formula: C95.5 H98 Cl3 Mo4 N14 O12 S2
• Calculated formula: C95.5 H98 Cl3 Mo4 N14 O12 S2
• Title of publication: Evidence of Disruption of Conjugation Involving Delta Bonds in Intramolecular Electronic Coupling
• Authors of publication: F. Albert Cotton; Zhong Li; Carlos A. Murillo
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 11847 - 11852
• a: 14.757 ± 0.003 Å
• b: 17.823 ± 0.004 Å
• c: 20.36 ± 0.005 Å
• α: 73.391 ± 0.004°
• β: 88.599 ± 0.004°
• γ: 68.105 ± 0.004°
• Cell volume: 4741 ± 1.9 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0885
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.132
• Weighted residual factors for all reflections included in the refinement: 0.1491
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No