Information card for entry 4340150

Structure parameters

• Common name: [Mo2(DAniF)3(C14H9N4)]
• Formula: C59 H54 Mo2 N10 O6
• Calculated formula: C59 H54 Mo2 N10 O6
• Title of publication: Strong electronic interaction between two dimolybdenum units linked by a tetraazatetracene.
• Authors of publication: Cotton, F. Albert; Li, Zhong; Liu, Chun Y.; Murillo, Carlos A.; Villagrán, Dino
• Journal of publication: Inorganic chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 2
• Pages of publication: 767 - 778
• a: 14.67 ± 0.0009 Å
• b: 17.8949 ± 0.0011 Å
• c: 20.7251 ± 0.0012 Å
• α: 90°
• β: 95.358 ± 0.001°
• γ: 90°
• Cell volume: 5416.9 ± 0.6 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 5
• 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: 0.0426
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0806
• Weighted residual factors for all reflections included in the refinement: 0.0888
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No