Information card for entry 4347244

Structure parameters

• Formula: C23 H15 N6 O4 Re
• Calculated formula: C23 H15 N6 O4 Re
• SMILES: C(#[O])[Re]1(C#[O])(C#[O])([N]2=C(c3ccccc3C2=N)N=C2c3c(C(=O)N12)cccc3)[n]1ccn(c1)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: 8.465 ± 0.0008 Å
• b: 13.9288 ± 0.0014 Å
• c: 18.5502 ± 0.0019 Å
• α: 81.483 ± 0.004°
• β: 86.727 ± 0.004°
• γ: 79.797 ± 0.004°
• Cell volume: 2127.8 ± 0.4 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: 0.0474
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0932
• Weighted residual factors for all reflections included in the refinement: 0.1046
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No