Information card for entry 4350588

Structure parameters

• Common name: [Mo2(DAniF)2]3F6,2CH2Cl2,C6H14
• Formula: C98 H108 Cl4 F6 Mo6 N12 O12
• Calculated formula: C98 H108 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: 24.152 ± 0.01 Å
• b: 16.36 ± 0.006 Å
• c: 26.445 ± 0.011 Å
• α: 90°
• β: 90.387 ± 0.007°
• γ: 90°
• Cell volume: 10449 ± 7 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1194
• Residual factor for significantly intense reflections: 0.0807
• Weighted residual factors for significantly intense reflections: 0.1786
• Weighted residual factors for all reflections included in the refinement: 0.2074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No