Information card for entry 7032744

Structure parameters

• Formula: C44 H42 Zn
• Calculated formula: C44 H42 Zn
• SMILES: [Zn](c1c(cccc1c1cc(cc(c1)C)C)c1cc(cc(c1)C)C)c1c(cccc1c1cc(cc(c1)C)C)c1cc(cc(c1)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: 10.6431 ± 0.0007 Å
• b: 11.2772 ± 0.0006 Å
• c: 15.6417 ± 0.0007 Å
• α: 81.846 ± 0.004°
• β: 87.869 ± 0.004°
• γ: 65.639 ± 0.006°
• Cell volume: 1692.47 ± 0.18 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0302
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for significantly intense reflections: 0.0716
• Weighted residual factors for all reflections included in the refinement: 0.0736
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No