Information card for entry 7022267

Structure parameters

• Formula: C22 H30 N2 O Zn
• Calculated formula: C22 H30 N2 O Zn
• SMILES: [Zn]1(Oc2c3c(cc4ccccc24)cccc3)(CC)[N](C)(C)CC[N]1(C)C
• Title of publication: Structural elucidation of homometallic anthracenolates synthesised via deprotonative metallation of anthrone.
• Authors of publication: Clegg, William; Fleming, Ben J.; García-Álvarez, Pablo; Hogg, Lorna M.; Kennedy, Alan R.; Klett, Jan; Martínez-Martínez, Antonio J; Mulvey, Robert E.; Russo, Luca; O'Hara, Charles T
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 7
• Pages of publication: 2512 - 2519
• a: 12.2484 ± 0.0009 Å
• b: 13.6732 ± 0.0007 Å
• c: 12.7425 ± 0.0009 Å
• α: 90°
• β: 108.087 ± 0.008°
• γ: 90°
• Cell volume: 2028.6 ± 0.2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0519
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.0628
• Weighted residual factors for all reflections included in the refinement: 0.0657
• Goodness-of-fit parameter for all reflections included in the refinement: 0.908
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No