Information card for entry 7118499

Structure parameters

• Formula: C61 H52 B F8 N4 O10 Ru2 S2
• Calculated formula: C61 H52 B F8 N4 O10 Ru2 S2
• Title of publication: Novel BODIPY-based Ru(ii) and Ir(iii) metalla-rectangles: cellular localization of compounds and their antiproliferative activities.
• Authors of publication: Gupta, Gajendra; Das, Abhishek; Ghate, Nikhil Baban; Kim, Takhyeon; Ryu, Ji Yeon; Lee, Junseong; Mandal, Nripendranath; Lee, Chang Yeon
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 23
• Pages of publication: 4274 - 4277
• a: 24.5419 ± 0.0006 Å
• b: 22.54 ± 0.0006 Å
• c: 25.4485 ± 0.0007 Å
• α: 90°
• β: 111.767 ± 0.002°
• γ: 90°
• Cell volume: 13073.7 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0956
• Residual factor for significantly intense reflections: 0.0746
• Weighted residual factors for significantly intense reflections: 0.1967
• Weighted residual factors for all reflections included in the refinement: 0.2072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No