Information card for entry 7708368

Structure parameters

• Formula: C47 H46 B2 Mo N12 O4 S3 W
• Calculated formula: C47 H46 B2 Mo N12 O4 S3 W
• SMILES: [W]12([S]=C3N(C=CN3[BH](N3C(=[S]1)N(C=C3)C)N1C=CN(C1=[S]2)C)C)(#Cc1c2c(c(c3c1cccc3)C#[Mo]13([n]4n(c(cc4C)C)[BH](n4[n]1c(cc4C)C)n1[n]3c(C)cc1C)(C#[O])C#[O])cccc2)(C#[O])C#[O]
• 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: 10.324 ± 0.002 Å
• b: 14.829 ± 0.003 Å
• c: 17.015 ± 0.003 Å
• α: 84.43 ± 0.03°
• β: 90 ± 0.03°
• γ: 80.97 ± 0.03°
• Cell volume: 2560.2 ± 0.9 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 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: 0.111
• Residual factor for significantly intense reflections: 0.0747
• Weighted residual factors for significantly intense reflections: 0.1948
• Weighted residual factors for all reflections included in the refinement: 0.2384
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.710762 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No