Information card for entry 7019663

Structure parameters

• Formula: C58 H58 Cu Mo14 N12 O47
• Calculated formula: C58 H56 Cu Mo14 N12 O47
• Title of publication: pH-dependent assembly of two inorganic-organic hybrid compounds based on octamolybdates: an unusual intercalated layer and a 3D 4-connected framework.
• Authors of publication: Liu, Hai-Yan; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 33
• Pages of publication: 9922 - 9927
• a: 9.664 ± 0.0004 Å
• b: 10.8552 ± 0.0004 Å
• c: 20.4564 ± 0.0008 Å
• α: 90.745 ± 0.003°
• β: 94.299 ± 0.003°
• γ: 104.891 ± 0.003°
• Cell volume: 2066.91 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0827
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0463
• Weighted residual factors for all reflections included in the refinement: 0.0499
• Goodness-of-fit parameter for all reflections included in the refinement: 0.726
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No