Information card for entry 7132793

Structure parameters

• Common name: Thesis - Compound 2.8 - CO12 xrd
• Chemical name: CO12
• Formula: C20 H23 B N6 O2 Se W
• Calculated formula: C20 H23 B N6 O2 Se W
• SMILES: [W]12([n]3n(c(cc3C)C)[BH](n5[n]1c(cc5C)C)n1c(cc([n]21)C)C)(C#[O])(#C[Se]C#C)C#[O]
• Title of publication: Spodium bonding in bis(alkynyl)mecurials.
• Authors of publication: Onn, Chee S.; Hill, Anthony F.; Ward, Jas S.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 18
• Pages of publication: 2552 - 2555
• a: 7.9715 ± 0.0003 Å
• b: 18.2689 ± 0.0006 Å
• c: 19.7379 ± 0.0008 Å
• α: 90°
• β: 101.415 ± 0.003°
• γ: 90°
• Cell volume: 2817.58 ± 0.18 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1075
• Residual factor for significantly intense reflections: 0.0981
• Weighted residual factors for significantly intense reflections: 0.2099
• Weighted residual factors for all reflections included in the refinement: 0.2139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.163
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No