Information card for entry 7038089

Structure parameters

• Formula: C24 H19 N4 O3 Re
• Calculated formula: C24 H19 N4 O3 Re
• SMILES: c1cccc[n]1[Re]1([n]2c(=C(NCc3ccccc3)c3n1ccc3)ccc2)(C#[O])(C#[O])C#[O]
• Title of publication: Postcomplexation synthetic routes to dipyrrin complexes.
• Authors of publication: Perl, David; Bisset, Sean W.; Telfer, Shane G.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 6
• Pages of publication: 2440 - 2443
• a: 20.3353 ± 0.0004 Å
• b: 13.2369 ± 0.0002 Å
• c: 17.3925 ± 0.0012 Å
• α: 90°
• β: 106.577 ± 0.007°
• γ: 90°
• Cell volume: 4487.1 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0301
• Residual factor for significantly intense reflections: 0.024
• Weighted residual factors for significantly intense reflections: 0.0454
• Weighted residual factors for all reflections included in the refinement: 0.0577
• Goodness-of-fit parameter for all reflections included in the refinement: 1.238
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No