Information card for entry 7218066

Structure parameters

• Formula: C96 H80 Cu4 Mo8 N24 O26
• Calculated formula: C96 H80 Cu4 Mo8 N24 O26
• Title of publication: Isopolymolybdate-induced organic‒inorganic hybrid assemblies with copper ions and bichelate-bridging ligands
• Authors of publication: Hao, Xiu-Li; Ma, Yuan-Yuan; Wang, Yong-Hui; Zang, Hong-Ying; Li, Yang-Guang
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 43
• Pages of publication: 10017
• a: 13.7656 ± 0.0006 Å
• b: 14.8306 ± 0.0006 Å
• c: 16.0531 ± 0.0005 Å
• α: 117.47 ± 0.003°
• β: 109.431 ± 0.003°
• γ: 91.167 ± 0.003°
• Cell volume: 2682.3 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1123
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for significantly intense reflections: 0.1202
• Weighted residual factors for all reflections included in the refinement: 0.1471
• Goodness-of-fit parameter for all reflections included in the refinement: 0.957
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No