Information card for entry 7131167

Structure parameters

• Formula: C30 H50 Be N2 Si2
• Calculated formula: C30 H50 Be N2 Si2
• SMILES: [Si]1(N(c2c(cccc2C(C)C)C(C)C)[Be]N([Si](CC1)(C)C)c1c(cccc1C(C)C)C(C)C)(C)C
• Title of publication: Beryllium-centred C-H activation of benzene.
• Authors of publication: Pearce, Kyle G.; Hill, Michael S.; Mahon, Mary F.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 11
• Pages of publication: 1453 - 1456
• a: 25.5602 ± 0.0001 Å
• b: 25.5602 ± 0.0001 Å
• c: 9.4309 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6161.43 ± 0.07 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 82
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Residual factor for all reflections: 0.0224
• Residual factor for significantly intense reflections: 0.0222
• Weighted residual factors for significantly intense reflections: 0.0598
• Weighted residual factors for all reflections included in the refinement: 0.06
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No