Information card for entry 7022265

Structure parameters

• Formula: C46 H64 K2 N6 O2
• Calculated formula: C46 H64 K2 N6 O2
• 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: 10.45 ± 0.0003 Å
• b: 17.655 ± 0.0004 Å
• c: 13.5543 ± 0.0004 Å
• α: 90°
• β: 111.112 ± 0.003°
• γ: 90°
• Cell volume: 2332.85 ± 0.12 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: 0.0718
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1057
• Weighted residual factors for all reflections included in the refinement: 0.112
• Goodness-of-fit parameter for all reflections included in the refinement: 0.964
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No