Information card for entry 4327831

Structure parameters

• Formula: C56 H47 N2 O2 P2 Re
• Calculated formula: C56 H47 N2 O2 P2 Re
• SMILES: [Re]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)([n]2cccc2=C(c2n1ccc2)c1c(C)cc(cc1C)C)(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: 16.4699 ± 0.0003 Å
• b: 13.1498 ± 0.0002 Å
• c: 23.44 ± 0.0016 Å
• α: 90°
• β: 102.342 ± 0.007°
• γ: 90°
• Cell volume: 4959.2 ± 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: 0.0568
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1074
• Weighted residual factors for all reflections included in the refinement: 0.1135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No