Information card for entry 7049853

Structure parameters

• Formula: C31 H39 I3 N3 Nd O
• Calculated formula: C31 H39 I3 N3 Nd O
• Title of publication: A reduction series of neodymium supported by pyridine(diimine) ligands.
• Authors of publication: Galley, Shane S.; Pattenaude, Scott A.; Higgins, Robert F.; Tatebe, Caleb J.; Stanley, Dalton A.; Fanwick, Phillip E.; Zeller, Matthias; Schelter, Eric J.; Bart, Suzanne C.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 23
• Pages of publication: 8021 - 8025
• a: 10.8314 ± 0.0007 Å
• b: 16.2124 ± 0.0008 Å
• c: 20.5519 ± 0.0013 Å
• α: 90°
• β: 103.408 ± 0.0018°
• γ: 90°
• Cell volume: 3510.6 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0586
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0832
• Weighted residual factors for all reflections included in the refinement: 0.0937
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No