Information card for entry 4346961

Structure parameters

• Formula: C35 H30 B F2 N3 O6 W
• Calculated formula: C35 H30 B F2 N3 O6 W
• SMILES: [W](=C(/C=C(\Nc1ccc(C2=c3[n]([B](F)(F)n4c2c(cc4C)C)c(cc3C)C)cc1)c1ccccc1)OCC)(C#[O])(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Remote Control by π-Conjugation of the Emissive Properties of Fischer Carbene-BODIPY Dyads.
• Authors of publication: Chu, Gong M.; Guerrero-Martínez, Andrés; Ramírez de Arellano, Carmen; Fernández, Israel; Sierra, Miguel A.
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 6
• Pages of publication: 2737 - 2747
• a: 9.6685 ± 0.0019 Å
• b: 16.122 ± 0.003 Å
• c: 22.139 ± 0.004 Å
• α: 78.12 ± 0.03°
• β: 82.89 ± 0.03°
• γ: 89.3 ± 0.03°
• Cell volume: 3350.7 ± 1.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0263
• Residual factor for significantly intense reflections: 0.0213
• Weighted residual factors for significantly intense reflections: 0.0623
• Weighted residual factors for all reflections included in the refinement: 0.0728
• Goodness-of-fit parameter for all reflections included in the refinement: 1.172
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No