Information card for entry 7015060

Structure parameters

• Formula: C56 H80 N2 Zn
• Calculated formula: C56 H80 N2 Zn
• SMILES: [Zn](n1c2c(cc(cc2c2cc(cc(c12)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)n1c2c(cc(cc2c2cc(cc(c12)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C
• Title of publication: Amido analogues of zincocenes and cadmocenes.
• Authors of publication: Blake, Alexander J.; Lewis, William; McMaster, Jonathan; Moorhouse, Rhiannon S.; Moxey, Graeme J.; Kays, Deborah L.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 8
• Pages of publication: 1641 - 1645
• a: 24.0248 ± 0.0012 Å
• b: 35.8255 ± 0.0017 Å
• c: 11.7851 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10143.4 ± 0.9 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 4
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0782
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.0947
• Weighted residual factors for all reflections included in the refinement: 0.114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No