Information card for entry 7003607

Structure parameters

• Common name: Monomeric bipyridine citrato dioxomolybdenum complex
• Formula: C16 H16 Mo N2 O10
• Calculated formula: C16 H16 Mo N2 O10
• SMILES: [Mo]12([n]3ccccc3c3[n]1cccc3)(OC(C(=O)O2)(CC(=O)O)CC(=O)O)(=O)=O.O
• Title of publication: N-heterocycle chelated oxomolybdenum(VI and V) complexes with bidentate citrate
• Authors of publication: Zhou, Zhao-Hui; Chen, Can-Yu; Cao, Ze-Xing; Tsai, Khi-Rui; Chow, Yuan L.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 18
• Pages of publication: 2475 - 2479
• a: 14.688 ± 0.001 Å
• b: 7.7377 ± 0.0008 Å
• c: 16.084 ± 0.002 Å
• α: 90°
• β: 100.151 ± 0.002°
• γ: 90°
• Cell volume: 1799.4 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.135
• Residual factor for significantly intense reflections: 0.0851
• Weighted residual factors for significantly intense reflections: 0.1588
• Weighted residual factors for all reflections included in the refinement: 0.1803
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No