Information card for entry 2200755

Structure parameters

• Formula: C26 H26 Mo2 N8 O7
• Calculated formula: C26 H26 Mo2 N8 O7
• SMILES: O1[Mo]23(=O)(=O)[n]4c(c(cn4C(C)=[NH]2)c2ccccc2)O[Mo]21(=O)(=O)[n]1c(c(cn1C(C)=[NH]2)c1ccccc1)O3.C(#N)C.C(#N)C
• Title of publication: Bis(μ-1-acetimido-4-phenylpyrazolone-<i>N</i>^2^:<i>O</i>)-μ-oxo-tetraoxodimolybdenum(VI) as its diacetonitrile adduct: a novel dinuclear molybdenum complex bridged by a 1-acetimido-4-phenylpyrazolone ligand
• Authors of publication: Guo, ShengLi; Wagner, Matthias; Bolte, Michael
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 10
• Pages of publication: m428 - m430
• a: 14.2861 ± 0.0004 Å
• b: 11.8522 ± 0.0004 Å
• c: 17.2215 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2915.97 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.037
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for all reflections included in the refinement: 0.088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes