Information card for entry 7708363

Structure parameters

• Formula: C58 H48 B2 Br2 N12 O4 Pt S6 W2
• Calculated formula: C58 H48 B2 Br2 N12 O4 Pt S6 W2
• SMILES: [Pt]1234([W]56([S]=C7N(C=CN7C)[BH](N7C(=[S]6)N(C)C=C7)N6C(=[S]5)N(C)C=C6)(C#[O])(C3=O)=C4c3c4ccccc4c(Br)c4c3cccc4)[W]34([S]=C5N(C)C=CN5[BH](N5C(=[S]4)N(C)C=C5)N4C(=[S]3)N(C)C=C4)(C#[O])(C1=O)=C2c1c2ccccc2c(Br)c2c1cccc2
• 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: 16.12 ± 0.003 Å
• b: 16.92 ± 0.003 Å
• c: 18.522 ± 0.004 Å
• α: 85.8 ± 0.03°
• β: 70.72 ± 0.03°
• γ: 68.87 ± 0.03°
• Cell volume: 4442 ± 2 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0951
• Residual factor for significantly intense reflections: 0.0616
• Weighted residual factors for significantly intense reflections: 0.1639
• Weighted residual factors for all reflections included in the refinement: 0.1846
• Goodness-of-fit parameter for all reflections included in the refinement: 0.911
• Diffraction radiation wavelength: 0.710762 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No