Information card for entry 7048636

Structure parameters

• Formula: C55 H49 N3 O3 P Re
• Calculated formula: C55 H49 N3 O3 P Re
• 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: 17.9756 ± 0.0004 Å
• b: 12.9438 ± 0.0002 Å
• c: 19.8103 ± 0.0004 Å
• α: 90°
• β: 98.62 ± 0.002°
• γ: 90°
• Cell volume: 4557.25 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.074
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.1073
• Weighted residual factors for all reflections included in the refinement: 0.1123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.189
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No