Information card for entry 7014641

Structure parameters

• Formula: C54 H61 Cu4 Mo8 N27 O26
• Calculated formula: C54 H59 Cu4 Mo8 N27 O26
• Title of publication: Inorganic-organic hybrid compounds based on octamolybdates and metal-organic fragments with flexible multidentate ligand: syntheses, structures and characterization.
• Authors of publication: Liu, Hai-Yan; Wu, Hua; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin; Ma, Ji-Cheng
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 3
• Pages of publication: 602 - 613
• a: 13.5986 ± 0.0004 Å
• b: 23.7671 ± 0.0006 Å
• c: 23.616 ± 0.0006 Å
• α: 90°
• β: 90.573 ± 0.003°
• γ: 90°
• Cell volume: 7632.3 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0904
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.1321
• Weighted residual factors for all reflections included in the refinement: 0.1543
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No