Information card for entry 4086580

Structure parameters

• Formula: C51 H60 Be N2 P2
• Calculated formula: C51 H60 Be N2 P2
• SMILES: P1(=[N](c2c(cccc2C(C)C)C(C)C)[Be](N(P(=C1)(c1ccccc1)c1ccccc1)c1c(cccc1C(C)C)C(C)C)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: 17.6236 ± 0.0015 Å
• b: 20.241 ± 0.0017 Å
• c: 24.665 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8798.5 ± 1.3 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: 0.0776
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1399
• Weighted residual factors for all reflections included in the refinement: 0.15
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No