Information card for entry 7048631

Structure parameters

• Formula: C36 H25 Br N2 O3 P Re
• Calculated formula: C36 H25 Br N2 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: 19.1355 ± 0.0003 Å
• b: 35.4097 ± 0.0005 Å
• c: 9.05694 ± 0.00014 Å
• α: 90°
• β: 90.2575 ± 0.0014°
• γ: 90°
• Cell volume: 6136.76 ± 0.16 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: 0.0582
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.068
• Weighted residual factors for all reflections included in the refinement: 0.0737
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No