Information card for entry 7132792

Structure parameters

• Common name: Thesis - Compound 4.6a - CO16
• Chemical name: CO16
• Formula: C52 H52 B2 Hg N14 O4 Se2 W2
• Calculated formula: C52 H52 B2 Hg N14 O4 Se2 W2
• SMILES: [W]12([n]3n(c(cc3C)C)[BH](n3[n]2c(cc3C)C)n2[n]1c(cc2C)C)(C#[O])(C#[O])#C[Se]C#C[Hg]1(C#C[Se]C#[W]23([n]4n(c(cc4C)C)[BH](n4[n]2c(cc4C)C)n2[n]3c(C)cc2C)(C#[O])C#[O])[n]2c3c4[n]1cccc4ccc3ccc2
• 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: 13.7335 ± 0.0009 Å
• b: 21.8752 ± 0.0011 Å
• c: 22.673 ± 0.0013 Å
• α: 117.984 ± 0.006°
• β: 91.487 ± 0.005°
• γ: 103.84 ± 0.005°
• Cell volume: 5764.1 ± 0.7 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1182
• Residual factor for significantly intense reflections: 0.0704
• Weighted residual factors for significantly intense reflections: 0.1611
• Weighted residual factors for all reflections included in the refinement: 0.1949
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No