Information card for entry 4327827

Structure parameters

• Formula: C32 H40 N2 O5 P Re
• Calculated formula: C32 H40 N2 O5 P Re
• SMILES: [Re]1([P](CCCC)(CCCC)CCCC)([n]2cccc2=C(c2n1ccc2)c1ccc(cc1)C(=O)OC)(C#[O])(C#[O])C#[O]
• 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: 18.6016 ± 0.0013 Å
• b: 11.1012 ± 0.0006 Å
• c: 15.5656 ± 0.001 Å
• α: 90°
• β: 95.693 ± 0.007°
• γ: 90°
• Cell volume: 3198.4 ± 0.4 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1087
• Residual factor for significantly intense reflections: 0.0818
• Weighted residual factors for significantly intense reflections: 0.215
• Weighted residual factors for all reflections included in the refinement: 0.27
• Goodness-of-fit parameter for all reflections included in the refinement: 1.169
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No