Information card for entry 4320282

Structure parameters

• Chemical name: Bis-5,5'-(1,3-propanediyldiimino)-2,2-dimethyl-3-neodymium dimer
• Formula: C62 H108 N6 Nd2 O6
• Calculated formula: C57 H95 N6 Nd2 O6
• Title of publication: Anhydrous Lanthanide Schiff Base Complexes and Their Preparation Using Lanthanide Triflate Derived Amides
• Authors of publication: Schuetz, Steven A.; Day, Victor W.; Sommer, Roger D.; Rheingold, Arnold L.; Belot, John A.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 5292 - 5295
• a: 14.5904 ± 0.0008 Å
• b: 16.802 ± 0.0009 Å
• c: 27.1129 ± 0.0014 Å
• α: 90°
• β: 90.618 ± 0.001°
• γ: 90°
• Cell volume: 6646.3 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0638
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.0884
• Weighted residual factors for all reflections included in the refinement: 0.0938
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No