Information card for entry 7049851

Structure parameters

• Common name: s
• Chemical name: PDINdI2(THF)2
• Formula: C47 H59 I2 N3 Nd O2
• Calculated formula: C47 H59 I2 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: 11.0654 ± 0.0009 Å
• b: 15.4966 ± 0.0007 Å
• c: 14.2383 ± 0.0015 Å
• α: 90°
• β: 110.339 ± 0.004°
• γ: 90°
• Cell volume: 2289.3 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.047
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0746
• Weighted residual factors for all reflections included in the refinement: 0.0793
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No