Information card for entry 7707381

Structure parameters

• Formula: C54 H74 Be2 Br2 N4
• Calculated formula: C54 H74 Be2 Br2 N4
• SMILES: Br[Be]1(=C2N(C=CN2c2c(cccc2C(C)C)C(C)C)c2c(cccc2C(C)C)C(C)C)[H][Be](Br)(=C2N(C=CN2c2c(cccc2C(C)C)C(C)C)c2c(cccc2C(C)C)C(C)C)[H]1
• 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: 12.36 ± 0.003 Å
• b: 14.99 ± 0.003 Å
• c: 14.39 ± 0.003 Å
• α: 90°
• β: 105.21 ± 0.03°
• γ: 90°
• Cell volume: 2572.7 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0467
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1004
• Weighted residual factors for all reflections included in the refinement: 0.1019
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.7109 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No