Information card for entry 4070623

Structure parameters

• Formula: C30 H48 N8 Zr2
• Calculated formula: C30 H48 N8 Zr2
• SMILES: [Zr]123456789([N]%10%11[Zr]%12([N]%131[C]6(=[CH]7[CH]8=[CH]9%13)C(C)(C)c1n%12ccc1)(n1c(C(C)(C)[C]2%10=[CH]3[CH]4=[CH]5%11)ccc1)(N(C)C)N(C)C)(N(C)C)N(C)C
• Title of publication: Group-4 Dipyrrolylmethane Complexes in Intramolecular Olefin Hydroamination
• Authors of publication: Majumder, Supriyo; Odom, Aaron L.
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 6
• Pages of publication: 1174
• a: 10.892 ± 0.003 Å
• b: 16.012 ± 0.004 Å
• c: 18.471 ± 0.005 Å
• α: 90°
• β: 100.392 ± 0.005°
• γ: 90°
• Cell volume: 3168.6 ± 1.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0437
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0905
• Weighted residual factors for all reflections included in the refinement: 0.0947
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No