Information card for entry 7040924

Structure parameters

• Formula: C144 H97 Er9 N12 O41
• Calculated formula: C144 H97 Er9 N12 O41
• Title of publication: A series of robust metal-porphyrinic frameworks based on rare earth clusters and their application in N-H carbene insertion.
• Authors of publication: Xu, Lei; Zhai, Meng-Ke; Wang, Fei; Sun, Lin; Du, Hong-Bin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 43
• Pages of publication: 17108 - 17112
• a: 22.7374 ± 0.0005 Å
• b: 22.7374 ± 0.0005 Å
• c: 17.8238 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 7980.2 ± 0.4 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 5
• Space group number: 191
• Hermann-Mauguin space group symbol: P 6/m m m
• Hall space group symbol: -P 6 2
• Residual factor for all reflections: 0.1313
• Residual factor for significantly intense reflections: 0.1274
• Weighted residual factors for significantly intense reflections: 0.3201
• Weighted residual factors for all reflections included in the refinement: 0.3229
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No