Information card for entry 7703525

Structure parameters

• Formula: C28 H29 B N8 O2 W
• Calculated formula: C28 H29 B N8 O2 W
• SMILES: [W]12([n]3n([BH](n4[n]2c(cc4C)C)n2[n]1c(cc2C)C)c(cc3C)C)(#Cc1nc(c2ncccc2)ccc1)(C#[O])C#[O]
• Title of publication: Metal coordination to bipyridyl carbynes.
• Authors of publication: Frogley, Benjamin J.; Hill, Anthony F.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 10
• Pages of publication: 3272 - 3283
• a: 10.7913 ± 0.0003 Å
• b: 19.8212 ± 0.0007 Å
• c: 22.1761 ± 0.0009 Å
• α: 112.852 ± 0.004°
• β: 94.189 ± 0.003°
• γ: 98.719 ± 0.003°
• Cell volume: 4275 ± 0.3 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0584
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0728
• Weighted residual factors for all reflections included in the refinement: 0.0812
• Goodness-of-fit parameter for all reflections included in the refinement: 0.946
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No