Information card for entry 4347241

Structure parameters

• Formula: C24 H15 N6 O3 Re
• Calculated formula: C24 H15 N6 O3 Re
• SMILES: [Re]1(N2C(c3ccccc3C2=NC2=[N]1C(c1c2cccc1)=N)=N)([n]1ccccc1)(C#[O])(C#[O])C#[O]
• 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: 8.684 ± 0.005 Å
• b: 11.159 ± 0.007 Å
• c: 12.417 ± 0.008 Å
• α: 100.631 ± 0.006°
• β: 104.252 ± 0.005°
• γ: 106.424 ± 0.006°
• Cell volume: 1076.1 ± 1.2 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: 0.0444
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0925
• Weighted residual factors for all reflections included in the refinement: 0.0953
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No