Information card for entry 4327823

Structure parameters

• Formula: C36 H26 N2 O3 P Re
• Calculated formula: C36 H26 N2 O3 P Re
• SMILES: [Re]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)(C#[O])([n]2c(ccc2)=C(c2n1ccc2)c1ccccc1)(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: 25.1498 ± 0.0005 Å
• b: 8.3542 ± 0.0002 Å
• c: 17.5653 ± 0.0012 Å
• α: 90°
• β: 128.178 ± 0.009°
• γ: 90°
• Cell volume: 2901.1 ± 0.4 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0241
• Residual factor for significantly intense reflections: 0.023
• Weighted residual factors for significantly intense reflections: 0.0543
• Weighted residual factors for all reflections included in the refinement: 0.0559
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No