Information card for entry 7022072

Structure parameters

• Formula: C8 H32 Cu2 Mo8 N8 O26
• Calculated formula: C8 H32 Cu2 Mo8 N8 O26
• SMILES: C1[NH2][Cu]2([NH2]CC[NH2]2)([NH2]C1)[O]=[Mo]12(=O)[O]3[Mo]456(=O)O[Mo]78(=O)(=O)[O]4([Mo]49%10(=O)O[Mo]%113(=O)(=O)[O]54[Mo]3(=O)(=O)(O%11)[O]%10[Mo](=[O][Cu]45([NH2]CC[NH2]4)[NH2]CC[NH2]5)(=O)(O3)[O]79)[Mo](=O)(=O)(O8)([O]16)O2
• Title of publication: Transition metal-induced self-assembly of small molybdenum clusters.
• Authors of publication: Zhang, Weisong; Gong, Jingjing; Zhang, Lili; Yang, Yanan; Liu, Yang; Zhang, Hengchao; Zhang, Guangju; Dong, Huan; Hu, Hailiang; Zhao, Fangfang; Kang, Zhenhui
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 5
• Pages of publication: 1760 - 1769
• a: 13.4301 ± 0.0007 Å
• b: 15.5335 ± 0.0008 Å
• c: 16.7731 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3499.1 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0206
• Residual factor for significantly intense reflections: 0.0204
• Weighted residual factors for significantly intense reflections: 0.0493
• Weighted residual factors for all reflections included in the refinement: 0.0493
• Goodness-of-fit parameter for all reflections included in the refinement: 1.173
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No