Information card for entry 4350586

Structure parameters

• Common name: [MO2(DAniF)2]3F6.2CH2Cl2
• Formula: C92 H94 Cl4 F6 Mo6 N12 O12
• Calculated formula: C92 H94 Cl4 F6 Mo6 N12 O12
• Title of publication: An isomeric pair of fluoride-bridged cyclic dimolybdenum triads.
• Authors of publication: Cotton, F. Albert; Liu, Chun Y.; Murillo, Carlos A.; Zhao, Qinliang
• Journal of publication: Inorganic chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 23
• Pages of publication: 9480 - 9486
• a: 14.146 ± 0.002 Å
• b: 14.286 ± 0.002 Å
• c: 26.043 ± 0.004 Å
• α: 76.605 ± 0.003°
• β: 76.147 ± 0.003°
• γ: 70.266 ± 0.003°
• Cell volume: 4743.9 ± 1.2 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: 0.0525
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0903
• Weighted residual factors for all reflections included in the refinement: 0.1018
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No