Information card for entry 2205489

Structure parameters

• Chemical name: tetraammonium octamolybdate bis(2-methylbenzimidazole),
• Formula: C16 H32 Mo8 N8 O26
• Calculated formula: C16 H32 Mo8 N8 O26
• SMILES: c1(C)nc2c(cccc2)[nH]1.[NH4+].[NH4+].O=[Mo]123(=O)O[Mo]45(=O)(=O)O[Mo]678([O]2[Mo]29(=O)(=O)[O]3[Mo]3%10%11([O]146[Mo]1([O]7[Mo]4(=O)(=O)(O[Mo](=O)(=O)(O2)([O]89%104)O%11)[O]31)(=O)(=O)O5)=O)=O.c1(C)nc2c(cccc2)[nH]1.[NH4+].[NH4+]
• Title of publication: A co-crystal of 2-methylbenzimidazole and ammonium octamolybdate
• Authors of publication: Feng, Si-Si; Lu, Li-Ping; Zhang, Hong-Mei; Qin, Shi-Dong; Li, Xue-Mei; Zhu, Miao-Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 4
• Pages of publication: m659 - m661
• a: 8.7122 ± 0.0019 Å
• b: 10.4 ± 0.002 Å
• c: 12.007 ± 0.003 Å
• α: 93.292 ± 0.003°
• β: 107.373 ± 0.002°
• γ: 112.457 ± 0.002°
• Cell volume: 941.2 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0363
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0861
• Weighted residual factors for all reflections included in the refinement: 0.0888
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes