Information card for entry 7245496

Structure parameters

• Formula: C24 H36 N2 Zr
• Calculated formula: C24 H36 N2 Zr
• SMILES: CN(C)[Zr]123456789([cH]%10[cH]1[c]12CCCC[c]31[c]4%10CC[c]15[c]29[c]8([cH]7[cH]61)CCCC2)N(C)C
• Title of publication: Mono- and dinuclear zirconocene(iv) amide complexes for the catalytic dehydropolymerisation of phenylsilane
• Authors of publication: Lindenau, Kevin; Spannenberg, Anke; Reiß, Fabian; Beweries, Torsten
• Journal of publication: RSC Advances
• Year of publication: 2022
• Journal volume: 12
• Journal issue: 40
• Pages of publication: 26277 - 26283
• a: 9.8199 ± 0.0003 Å
• b: 13.2654 ± 0.0004 Å
• c: 32.3207 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4210.3 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0362
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for significantly intense reflections: 0.0661
• Weighted residual factors for all reflections included in the refinement: 0.0707
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No