Information card for entry 7221759

Structure parameters

• Chemical name: H[Na6(H2O)12Nd2(dipic)6(NO3)]?18H2O
• Formula: C42 H79 N7 Na6 Nd2 O57
• Calculated formula: C42 H18 N7 Na6 Nd2 O57
• Title of publication: Spherical octanuclear clusters in a Na‒Ln‒dipic system ‒ encapsulation of a nitrate ion and incorporation of water nonamers and dodecamers
• Authors of publication: Elahi, Syed Meheboob; Rajasekharan, M. V.
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 37
• Pages of publication: 7191
• a: 15.403 ± 0.0007 Å
• b: 15.403 ± 0.0007 Å
• c: 56.461 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 11600.9 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.0733
• Residual factor for significantly intense reflections: 0.0694
• Weighted residual factors for significantly intense reflections: 0.1882
• Weighted residual factors for all reflections included in the refinement: 0.1916
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No