Information card for entry 7003606

Structure parameters

• Common name: Citrato bipyridine molybdate
• Formula: C32 H36 Mo2 N4 O21
• Calculated formula: C32 H34 Mo2 N4 O21
• SMILES: [Mo]12([n]3ccccc3c3[n]1cccc3)(OC(C(=O)O2)(CC(=O)O)CC(=O)O)(=O)O[Mo]12([n]3ccccc3c3[n]1cccc3)(OC(C(=O)O2)(CC(=O)O)CC(=O)O)=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: 10.306 ± 0.003 Å
• b: 13.089 ± 0.005 Å
• c: 16.049 ± 0.009 Å
• α: 103.71 ± 0.04°
• β: 107.11 ± 0.04°
• γ: 94.48 ± 0.03°
• Cell volume: 1984.5 ± 1.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1416
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.1247
• Weighted residual factors for all reflections included in the refinement: 0.1514
• Goodness-of-fit parameter for all reflections included in the refinement: 0.893
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No