Information card for entry 4347245

Structure parameters

• Formula: C23 H14 N5 O5 Re
• Calculated formula: C23 H14 N5 O5 Re
• SMILES: C(#[O])[Re]1(C#[O])(C#[O])([N]2C(=O)c3ccccc3C2=NC=2c3ccccc3C(=O)N12)[n]1cn(cc1)C
• Title of publication: Re(CO)3-Templated Formation of Aza(dibenzo)dipyrromethenes.
• Authors of publication: Crandall, Laura A.; Bogdanowicz, Catherine A.; Hasheminasab, Abed; Chanawanno, Kullapa; Herrick, Richard S.; Ziegler, Christopher J.
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 7
• Pages of publication: 3209 - 3211
• a: 8.4859 ± 0.0005 Å
• b: 11.232 ± 0.0006 Å
• c: 22.2437 ± 0.0013 Å
• α: 90°
• β: 97.282 ± 0.002°
• γ: 90°
• Cell volume: 2103 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0268
• Residual factor for significantly intense reflections: 0.0223
• Weighted residual factors for significantly intense reflections: 0.0437
• Weighted residual factors for all reflections included in the refinement: 0.045
• Goodness-of-fit parameter for all reflections included in the refinement: 1.28
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No