Information card for entry 7032738

Structure parameters

• Formula: C22 H21 I
• Calculated formula: C22 H21 I
• SMILES: c1(cc(cc(c2c(I)c(ccc2)c2cc(cc(c2)C)C)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: 7.759 ± 0.002 Å
• b: 27.311 ± 0.008 Å
• c: 8.45 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1790.6 ± 0.8 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 3
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0417
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.102
• Weighted residual factors for all reflections included in the refinement: 0.102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.5
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No