Information card for entry 4327832

Structure parameters

• Formula: C65 H50 N3 O2 P2 Re
• Calculated formula: C65 H50 N3 O2 P2 Re
• SMILES: C(#[O])[Re]1(C#[O])([n]2cccc2=C(c2cccn12)c1ccc(cc1)N(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Luminescent Rhenium(I)-Dipyrrinato Complexes
• Authors of publication: Tracey M. McLean; Janice L. Moody; Mark R. Waterland; Shane G. Telfer
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 446 - 455
• a: 11.9337 ± 0.0002 Å
• b: 12.8775 ± 0.0002 Å
• c: 17.2623 ± 0.0012 Å
• α: 97.802 ± 0.007°
• β: 90.789 ± 0.006°
• γ: 98.19 ± 0.007°
• Cell volume: 2600 ± 0.2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0715
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.1343
• Weighted residual factors for all reflections included in the refinement: 0.1641
• Goodness-of-fit parameter for all reflections included in the refinement: 1.146
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No