Information card for entry 7014642

Structure parameters

• Formula: C36 H56 Mo8 N18 Ni2 O34
• Calculated formula: C36 H54 Mo8 N18 Ni2 O34
• 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: 13.4938 ± 0.0005 Å
• b: 16.1953 ± 0.0005 Å
• c: 15.355 ± 0.0007 Å
• α: 90°
• β: 107.354 ± 0.005°
• γ: 90°
• Cell volume: 3202.9 ± 0.2 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: 0.0816
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0418
• Weighted residual factors for all reflections included in the refinement: 0.0448
• Goodness-of-fit parameter for all reflections included in the refinement: 0.729
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No