Information card for entry 4327825

Structure parameters

• Formula: C39 H32 N2 O3 P Re
• Calculated formula: C39 H32 N2 O3 P Re
• SMILES: c1ccc2C(=c3ccc[n]3[Re](C#[O])(C#[O])(C#[O])(n12)[P](c1ccccc1)(c1ccccc1)c1ccccc1)c1c(C)cc(C)cc1C
• 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: 16.966 ± 0.003 Å
• b: 17.746 ± 0.004 Å
• c: 21.892 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6591 ± 2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0541
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1286
• Weighted residual factors for all reflections included in the refinement: 0.1798
• Goodness-of-fit parameter for all reflections included in the refinement: 1.18
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No