Information card for entry 7046311

Structure parameters

• Formula: C17 H26 B Be I N6 O2
• Calculated formula: C17 H26 B Be I N6 O2
• Title of publication: Solvent-induced ion separation of a beryllium scorpionate complex.
• Authors of publication: Naglav, Dominik; Tobey, Briac; Dzialkowski, Kevin; Bläser, Dieter; Wölper, Christoph; Jansen, Georg; Schulz, Stephan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 36
• Pages of publication: 12511 - 12515
• a: 14.459 ± 0.0006 Å
• b: 9.83 ± 0.0004 Å
• c: 15.3574 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2182.78 ± 0.15 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 7
• 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: 0.0463
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0711
• Weighted residual factors for all reflections included in the refinement: 0.0743
• Goodness-of-fit parameter for all reflections included in the refinement: 1.19
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No