Information card for entry 4347243

Structure parameters

• Formula: C23 H16 N7 O3 Re
• Calculated formula: C23 H16 N7 O3 Re
• SMILES: C(#[O])[Re]1(C#[O])(C#[O])(N2C(c3ccccc3C2=NC2c3ccccc3C([N]1=2)=N)=N)[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: 8.4924 ± 0.0003 Å
• b: 13.9775 ± 0.0005 Å
• c: 18.5942 ± 0.0006 Å
• α: 81.245 ± 0.002°
• β: 86.66 ± 0.002°
• γ: 79.716 ± 0.002°
• Cell volume: 2145.32 ± 0.13 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: 0.046
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.107
• Weighted residual factors for all reflections included in the refinement: 0.1099
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No