Information card for entry 4311477

Structure parameters

• Formula: C68 H126 N6 Na2 Nd2 O30
• Calculated formula: C68 H126 N6 Na2 Nd2 O30
• SMILES: [c]12(C)[c]3(C)[c]4(C)[c]5(C)[c]1(C)[Nd]1672345(ON(=[O]1)=O)(ON(=[O]6)=O)([O]1CCCC1)ON(=[O]7)=[O][Na]([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)[O]=N(=[O]1)O[Nd]1234567([c]1(C)[c]3(C)[c]4(C)[c]5(C)[c]12(C))(ON(=[O]6)=O)(ON(=[O]7)=O)[O]1CCCC1.[Na]([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1
• 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: 9.4276 ± 0.0008 Å
• b: 11.8822 ± 0.001 Å
• c: 19.6454 ± 0.0017 Å
• α: 98.566 ± 0.001°
• β: 96.469 ± 0.001°
• γ: 101.897 ± 0.001°
• Cell volume: 2105.9 ± 0.3 ų
• Cell temperature: 158 ± 2 K
• Ambient diffraction temperature: 158 ± 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: 0.0403
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0839
• Weighted residual factors for all reflections included in the refinement: 0.0877
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No