Information card for entry 7049854

Structure parameters

• Chemical name: PDINdI(THF)2
• Formula: C35 H47 I N3 Nd O2
• Calculated formula: C35 H47 I N3 Nd O2
• 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: 8.8201 ± 0.0008 Å
• b: 22.8405 ± 0.00017 Å
• c: 18.4822 ± 0.00011 Å
• α: 90°
• β: 96.758 ± 0.006°
• γ: 90°
• Cell volume: 3697.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1313
• Residual factor for significantly intense reflections: 0.0996
• Weighted residual factors for significantly intense reflections: 0.2616
• Weighted residual factors for all reflections included in the refinement: 0.2971
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No