Information card for entry 4086581

Structure parameters

• Formula: C41 H40 Be2 N2 P2
• Calculated formula: C41 H40 Be2 N2 P2
• SMILES: P1(=[N](c2ccccc2)[Be](C21P(=[N](c1ccccc1)[Be]2CC)(c1ccccc1)c1ccccc1)CC)(c1ccccc1)c1ccccc1
• Title of publication: Synthesis and Structure of Bis(diphenylphosphinimino)methanide and Bis(diphenylphosphinimino)methanediide Beryllium Complexes
• Authors of publication: Bayram, Melike; Naglav, Dominik; Wölper, Christoph; Schulz, Stephan
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 14
• Pages of publication: 2378
• a: 19.0777 ± 0.0016 Å
• b: 17.7914 ± 0.0014 Å
• c: 20.5506 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6975.3 ± 1 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.121
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.0976
• Weighted residual factors for all reflections included in the refinement: 0.1286
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No