Information card for entry 7202856

Structure parameters

• Formula: C42 H72 N Nd7 O61
• Calculated formula: C42 H40 N Nd7 O60
• Title of publication: Neodymium(iii) d(?)-citramalate: a chiral three-dimensional framework with water-filled channels
• Authors of publication: Pierre Thuéry
• Journal of publication: CrystEngComm
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 6
• Pages of publication: 460
• a: 12.7819 ± 0.0006 Å
• b: 12.7819 ± 0.0006 Å
• c: 85.294 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 12068.1 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 178
• Hermann-Mauguin space group symbol: P 61 2 2
• Hall space group symbol: P 61 2 (0 0 5)
• Residual factor for all reflections: 0.081
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1146
• Weighted residual factors for all reflections included in the refinement: 0.1266
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No