Information card for entry 7105979

Structure parameters

• Formula: C69 H97 Er2 N11 Ni3 O36
• Calculated formula: C69 H71 Er2 N11 Ni3 O36
• Title of publication: Salen-based metal–organic frameworks of nickel and the lanthanides
• Authors of publication: Peter Roesky; Asamanjoy Bhunia; Yanhua Lan; Annie Powell; Sven Kureti
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 2035
• a: 14.682 ± 0.003 Å
• b: 15.347 ± 0.003 Å
• c: 19.14 ± 0.004 Å
• α: 95.82 ± 0.03°
• β: 100.58 ± 0.03°
• γ: 94.33 ± 0.03°
• Cell volume: 4198 ± 1.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1121
• Residual factor for significantly intense reflections: 0.0765
• Weighted residual factors for significantly intense reflections: 0.1806
• Weighted residual factors for all reflections included in the refinement: 0.1994
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No