Information card for entry 4347242

Structure parameters

• Formula: C24 H13 N4 O5 Re
• Calculated formula: C24 H13 N4 O5 Re
• SMILES: C(#[O])[Re]1(C#[O])(C#[O])([N]2C(=O)c3ccccc3C=2N=C2c3ccccc3C(=O)N12)[n]1ccccc1
• 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: 8.665 ± 0.009 Å
• b: 11.112 ± 0.011 Å
• c: 12.398 ± 0.013 Å
• α: 101.448 ± 0.011°
• β: 104.233 ± 0.011°
• γ: 105.919 ± 0.011°
• Cell volume: 1066.5 ± 1.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0492
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.1051
• Weighted residual factors for all reflections included in the refinement: 0.1097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No