Information card for entry 4311476

Structure parameters

• Formula: C8 H20 N3 Nd O13
• Calculated formula: C8 H20 N3 Nd O13
• SMILES: [Nd]12345(ON(=O)=[O]2)(ON(=O)=[O]4)([O]=N(=O)O1)([O](C)CC[O]3C)[O](C)CC[O]5C
• Title of publication: Utility of Anhydrous Neodymium Nitrate as a Precursor to Extended Organoneodymium Nitrate Networks
• Authors of publication: William J. Evans; Dimitrios G. Giarikos; Penny S. Workman; Joseph W. Ziller
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 5754 - 5760
• a: 10.3843 ± 0.0011 Å
• b: 15.0674 ± 0.0012 Å
• c: 11.3843 ± 0.0011 Å
• α: 90°
• β: 92.467 ± 0.008°
• γ: 90°
• Cell volume: 1779.6 ± 0.3 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0321
• Residual factor for significantly intense reflections: 0.0255
• Weighted residual factors for significantly intense reflections: 0.0599
• Weighted residual factors for all reflections included in the refinement: 0.0627
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No