Information card for entry 7032747

Structure parameters

• Formula: C59 H73 Zn
• Calculated formula: C56 H66 Zn
• SMILES: [Zn](c1c(cccc1c1c(c(c(c(c1C)C)C)C)C)c1c(c(c(c(c1C)C)C)C)C)c1c(cccc1c1c(c(c(c(c1C)C)C)C)C)c1c(c(c(c(c1C)C)C)C)C
• Title of publication: Ligand influences on homoleptic Group 12 m-terphenyl complexes.
• Authors of publication: Blundell, Toby J.; Hastings, Fiona R.; Gridley, Benjamin M.; Moxey, Graeme J.; Lewis, William; Blake, Alexander J.; Kays, Deborah L.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 38
• Pages of publication: 14257 - 14264
• a: 12.178 ± 0.003 Å
• b: 22.671 ± 0.005 Å
• c: 18.854 ± 0.004 Å
• α: 90°
• β: 94.559 ± 0.004°
• γ: 90°
• Cell volume: 5189 ± 2 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 3
• 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: 0.0744
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.1335
• Weighted residual factors for all reflections included in the refinement: 0.1402
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No