Information card for entry 4350587

Structure parameters

• Common name: [Mo2(DAniF)2]3F6(ph4B),2CH2Cl2
• Formula: C116 H114 B Cl4 F6 Mo6 N12 O12
• Calculated formula: C116 H114 B 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: 19.923 ± 0.003 Å
• b: 28.67 ± 0.004 Å
• c: 20.496 ± 0.003 Å
• α: 90°
• β: 98.59 ± 0.003°
• γ: 90°
• Cell volume: 11576 ± 3 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 8
• 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: 0.0761
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.0879
• Weighted residual factors for all reflections included in the refinement: 0.1057
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No