Information card for entry 2226691

Structure parameters

• Chemical name: Bis{4,4'-[oxalylbis(azanediyl)]dipyridinium} octamolybdate
• Formula: C24 H24 Mo8 N8 O30
• Calculated formula: C24 H24 Mo8 N8 O30
• SMILES: c1cc(cc[nH+]1)NC(=O)C(=O)Nc1cc[nH+]cc1.O=[Mo]1234O[Mo]5(O[Mo]67([O]2[Mo]28(=O)([O]91[Mo]1%10%11([O]62)(=O)[Mo]2([O]3[Mo]39(=O)([Mo](=O)(=O)(O8)(O3)O1)(=O)[O]%102)(=O)(O5)(=O)[O]47%11)=O)(=O)=O)(=O)=O.c1cc(cc[nH+]1)NC(=O)C(=O)Nc1cc[nH+]cc1
• Title of publication: Bis{4,4'-[oxalylbis(azanediyl)]dipyridinium} octamolybdate
• Authors of publication: Qin, Jianbo; Dong, Jingren; Li, Jinghua; Gong, Yun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: m743
• a: 10.633 ± 0.002 Å
• b: 11.552 ± 0.002 Å
• c: 17.24 ± 0.004 Å
• α: 90°
• β: 101.553 ± 0.003°
• γ: 90°
• Cell volume: 2074.7 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0291
• Residual factor for significantly intense reflections: 0.022
• Weighted residual factors for significantly intense reflections: 0.0701
• Weighted residual factors for all reflections included in the refinement: 0.0976
• Goodness-of-fit parameter for all reflections included in the refinement: 1.395
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes