Information card for entry 2224799

Structure parameters

• Chemical name: Diaqua-1κ<i>O</i>,2κ<i>O</i>-(2,2'-bi-1<i>H</i>-imidazole- 1κ^2^<i>N</i>^3^,<i>N</i>^3'^)(oxalato-2κ^2^<i>O</i>^1^,<i>O</i>^2^)di- μ-oxido-κ^4^<i>O</i>:<i>O</i>-dioxido-1κ<i>O</i>,2κ<i>O</i>-dimolybdenum(V) trihydrate
• Formula: C8 H16 Mo2 N4 O13
• Calculated formula: C8 H16 Mo2 N4 O13
• SMILES: [Mo]123([Mo]4(OC(=O)C(=O)O4)(=O)(O2)(O3)[OH2])([n]2c(c3[n]1cc[nH]3)[nH]cc2)(=O)[OH2].O.O.O
• Title of publication: Diaqua-1κ<i>O</i>,2κ<i>O</i>-(2,2'-bi-1<i>H</i>-imidazole-1κ^2^<i>N</i>^3^,<i>N</i>^3'^)(oxalato-2κ^2^<i>O</i>^1^,<i>O</i>^2^)di-μ-oxido-κ^4^<i>O</i>:<i>O</i>-dioxido-1κ<i>O</i>,2κ<i>O</i>-dimolybdenum(V) trihydrate
• Authors of publication: Zhang, Xiutang; Wei, Peihai; Shi, Congwen; Li, Bin; Hu, Bo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 1
• Pages of publication: m26 - m27
• a: 10.7509 ± 0.0016 Å
• b: 14.517 ± 0.002 Å
• c: 11.3661 ± 0.0017 Å
• α: 90°
• β: 92.306 ± 0.002°
• γ: 90°
• Cell volume: 1772.5 ± 0.4 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0243
• Residual factor for significantly intense reflections: 0.0212
• Weighted residual factors for significantly intense reflections: 0.0572
• Weighted residual factors for all reflections included in the refinement: 0.0589
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes