Information card for entry 2012988

Structure parameters

• Chemical name: Diammonium aqua-μ-carbonato-tri-μ-oxalatodineodymium(III) hydrate
• Formula: C7 H12 N2 Nd2 O17
• Calculated formula: C7 H12 N2 Nd2 O17
• Title of publication: A neodymium(III)‒ammonium complex involving oxalate and carbonate ligands: (NH~4~)~2~[Nd~2~(C~2~O~4~)~3~(CO~3~)(H~2~O)]·H~2~O
• Authors of publication: Trombe, Jean-Christian; Galy, Jean; Enjalbert, Renée
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 10
• Pages of publication: m517 - m520
• a: 8.7065 ± 0.001 Å
• b: 9.53 ± 0.001 Å
• c: 10.3274 ± 0.001 Å
• α: 73.35 ± 0.018°
• β: 86.9 ± 0.02°
• γ: 80.5 ± 0.02°
• Cell volume: 809.69 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.033
• Residual factor for significantly intense reflections: 0.024
• Weighted residual factors for all reflections: 0.082
• Weighted residual factors for all reflections included in the refinement: 0.058
• Goodness-of-fit parameter for all reflections: 1.151
• Goodness-of-fit parameter for all reflections included in the refinement: 0.881
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes