Information card for entry 7038090

Structure parameters

• Formula: C27 H31 N4 O7 Re
• Calculated formula: C27 H31 N4 O7 Re
• SMILES: [Re]1([n]2cccc2=C(c2cccn12)N1CCOCCOCCOCCOCC1)(C#[O])(C#[O])(C#[O])[n]1ccccc1
• 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: 14.06 ± 0.002 Å
• b: 14.919 ± 0.002 Å
• c: 14.956 ± 0.002 Å
• α: 71.212 ± 0.005°
• β: 86.959 ± 0.006°
• γ: 86.737 ± 0.006°
• Cell volume: 2963.2 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.2322
• Residual factor for significantly intense reflections: 0.1273
• Weighted residual factors for significantly intense reflections: 0.3068
• Weighted residual factors for all reflections included in the refinement: 0.4031
• Goodness-of-fit parameter for all reflections included in the refinement: 1.121
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No