Information card for entry 7017451

Structure parameters

• Formula: C25 H31 Cl4 N3 Zr
• Calculated formula: C25 H31 Cl4 N3 Zr
• Title of publication: New stable aryl-substituted acyclic imino-N-heterocyclic carbene: synthesis, characterisation and coordination to early transition metals.
• Authors of publication: Larocque, Timothy G.; Badaj, Anna C.; Dastgir, Sarim; Lavoie, Gino G.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 47
• Pages of publication: 12705 - 12712
• a: 25.3593 ± 0.0006 Å
• b: 10.6747 ± 0.0009 Å
• c: 16.5496 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4480 ± 0.5 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.108
• Residual factor for significantly intense reflections: 0.08
• Weighted residual factors for significantly intense reflections: 0.2419
• Weighted residual factors for all reflections included in the refinement: 0.2569
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No