Information card for entry 4310818

Structure parameters

• Common name: cis-Mo2(DAniF)2(OAc)2
• Formula: C34 H36 Mo2 N4 O8
• Calculated formula: C34 H36 Mo2 N4 O8
• SMILES: [Mo]1234[Mo](N(c5ccc(OC)cc5)C=[N]1c1ccc(OC)cc1)(N(C=[N]2c1ccc(OC)cc1)c1ccc(OC)cc1)([O]=C(O3)C)OC(=[O]4)C
• Title of publication: Systematic Preparation of Mo24+ Building Blocks for Supramolecular Assemblies
• Authors of publication: F. Albert Cotton; Chun Y. Liu; Carlos A. Murillo
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 2267 - 2276
• a: 8.0868 ± 0.0016 Å
• b: 22.374 ± 0.004 Å
• c: 19.538 ± 0.004 Å
• α: 90°
• β: 101.747 ± 0.004°
• γ: 90°
• Cell volume: 3461.1 ± 1.2 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0781
• Residual factor for significantly intense reflections: 0.0649
• Weighted residual factors for significantly intense reflections: 0.1541
• Weighted residual factors for all reflections included in the refinement: 0.1644
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No