Information card for entry 7030867

Structure parameters

• Formula: C81 H75 Cl13 Fe N10 O31 Pr4 Sb12
• Calculated formula: C81 H69 Cl13 Fe N10 O31 Pr4 Sb12
• Title of publication: Syntheses, structures and photocatalytic properties of five new praseodymium-antimony oxochlorides: from discrete clusters to 3D inorganic-organic hybrid racemic compounds.
• Authors of publication: Zou, Guo-Dong; Wang, Ze-Ping; Song, Ying; Hu, Bing; Huang, Xiao-Ying
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 26
• Pages of publication: 10064 - 10073
• a: 12.8307 ± 0.0003 Å
• b: 27.0624 ± 0.0009 Å
• c: 32.2935 ± 0.0007 Å
• α: 90°
• β: 95.917 ± 0.002°
• γ: 90°
• Cell volume: 11153.5 ± 0.5 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 8
• 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: 0.0536
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0831
• Weighted residual factors for all reflections included in the refinement: 0.0916
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No