Information card for entry 7048633

Structure parameters

• Formula: C46 H37 N3 O3 P Re S
• Calculated formula: C46 H37 N3 O3 P Re S
• Title of publication: Phosphorescent rhenium-dipyrrinates: efficient photosensitizers for singlet oxygen generation.
• Authors of publication: Manav, Neha; Kesavan, Praseetha E.; Ishida, Masatoshi; Mori, Shigeki; Yasutake, Yuhsuke; Fukatsu, Susumu; Furuta, Hiroyuki; Gupta, Iti
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 7
• Pages of publication: 2467 - 2478
• a: 23.5467 ± 0.0004 Å
• b: 12.5757 ± 0.0002 Å
• c: 12.8889 ± 0.0002 Å
• α: 90°
• β: 90.8795 ± 0.0017°
• γ: 90°
• Cell volume: 3816.16 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0461
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0658
• Weighted residual factors for all reflections included in the refinement: 0.0694
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No