Information card for entry 4076626

Structure parameters

• Chemical name: Di[2,6-bis(ν^5^-cyclopentadienylmethylen)pyridin(μ^2^-triflate)Neodyme(III)]
• Formula: C18.5 H17 Cl2 F3 N Nd O3 S
• Calculated formula: C19 H17 Cl2 F3 N Nd O3 S
• Title of publication: New Dinuclear 5-ansa-Lanthanocene Derivatives. Crystal Structures of [Ln{2,6-(CH2C5H4)2C5H3N}μ-O2SOCF3]2(Ln = Nd, Y, Yb) and a VT Solution NMR (1H,19F) Study of the Fluxional Yttrium Homologue
• Authors of publication: Paolucci, Gino; Zanon, Jacopo; Lucchini, Vittorio; Damrau, Wulf-Erich; Siebel, Eric; Fischer, R. Dieter
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 6
• Pages of publication: 1088
• a: 12.438 ± 0.003 Å
• b: 13.32 ± 0.003 Å
• c: 13.95 ± 0.003 Å
• α: 91.86 ± 0.03°
• β: 90.51 ± 0.03°
• γ: 107.71 ± 0.03°
• Cell volume: 2200 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0418
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for all reflections: 0.1142
• Weighted residual factors for significantly intense reflections: 0.1018
• Goodness-of-fit parameter for all reflections: 0.743
• Goodness-of-fit parameter for significantly intense reflections: 0.716
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No