Information card for entry 4327826

Structure parameters

• Formula: C48 H35 N3 O3 P Re
• Calculated formula: C48 H35 N3 O3 P Re
• SMILES: [Re]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)([n]2cccc2=C(c2n1ccc2)c1ccc(N(c2ccccc2)c2ccccc2)cc1)(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: 9.2055 ± 0.0002 Å
• b: 13.6362 ± 0.0003 Å
• c: 16.0589 ± 0.0011 Å
• α: 80.409 ± 0.006°
• β: 85.95 ± 0.006°
• γ: 76.312 ± 0.005°
• Cell volume: 1930.19 ± 0.15 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: 0.0507
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.0929
• Weighted residual factors for all reflections included in the refinement: 0.1404
• Goodness-of-fit parameter for all reflections included in the refinement: 1.256
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No