Information card for entry 7708365

Structure parameters

• Formula: C53 H37 B2 Br2 Cl3 N12 O4 Pt W2
• Calculated formula: C53 H37 B2 Br2 Cl3 N12 O4 Pt W2
• SMILES: [Pt]1234([W]56(=C1c1c7ccccc7c(Br)c7c1cccc7)(C2=O)([n]1n(ccc1)[BH](n1[n]5ccc1)n1[n]6ccc1)C#[O])[W]12(=C3c3c5ccccc5c(Br)c5c3cccc5)(C#[O])([n]3n(ccc3)[BH](n3[n]2ccc3)n2[n]1ccc2)C4=O.ClC(Cl)Cl
• Title of publication: Symmetric and Non-symmetric Anthracen-diyl Bis(alkylidynes)
• Authors of publication: Hill, Anthony; Frogley, Benjamin; Welsh, Steven S.
• Journal of publication: Dalton Transactions
• Year of publication: 2021
• a: 11.1569 ± 0.0002 Å
• b: 21.6614 ± 0.0004 Å
• c: 23.2713 ± 0.0004 Å
• α: 90°
• β: 101.286 ± 0.002°
• γ: 90°
• Cell volume: 5515.31 ± 0.17 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 9
• 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: 0.0586
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0829
• Weighted residual factors for all reflections included in the refinement: 0.095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No