Information card for entry 2241322

Structure parameters

• Chemical name: Bis{μ~2~-[(2-iminocyclopentylidene)methylidene]azanido-κ^2^<i>N</i>:<i>N</i>'}bis[(η^5^-pentamethylcyclopentadienyl)zirconium(IV)] hexane monosolvate
• Formula: C58 H86 N4 Zr2
• Calculated formula: C58 H86 N4 Zr2
• Title of publication: Crystal structure of bis{μ~2~-[(2-iminocyclopentylidene)methylidene]azanido-κ^2^<i>N</i>:<i>N</i>'}bis[(η^5^-pentamethylcyclopentadienyl)zirconium(IV)] hexane monosolvate
• Authors of publication: Becker, Lisanne; Spannenberg, Anke; Arndt, Perdita; Rosenthal, Uwe
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 12
• Pages of publication: m219 - m220
• a: 13.4862 ± 0.0008 Å
• b: 16.9048 ± 0.0011 Å
• c: 13.0151 ± 0.0008 Å
• α: 90°
• β: 117.723 ± 0.0015°
• γ: 90°
• Cell volume: 2626.6 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0412
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0883
• Weighted residual factors for all reflections included in the refinement: 0.0944
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes