Information card for entry 7707383

Structure parameters

• Formula: C37 H44 Be N2
• Calculated formula: C37 H44 Be N2
• SMILES: N1(C(=[Be]234[cH]5[cH]2[cH]3[cH]4c2ccccc52)N(C=C1)c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C
• Title of publication: N-Heterocyclic carbene, carbodiphosphorane and diphosphine adducts of beryllium dihalides: synthesis, characterisation and reduction studies.
• Authors of publication: Paparo, Albert; Matthews, Aidan J. R.; Smith, Cory D.; Edwards, Alison J.; Yuvaraj, K.; Jones, Cameron
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 22
• Pages of publication: 7604 - 7609
• a: 12.2007 ± 0.0004 Å
• b: 14.1881 ± 0.0004 Å
• c: 17.9562 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3108.3 ± 0.16 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0429
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0926
• Weighted residual factors for all reflections included in the refinement: 0.0952
• 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