Information card for entry 4338120

Structure parameters

• Common name: JBWW15 B
• Formula: C27 H32 B Br2 Cl3 Co F2 N7 O4
• Calculated formula: C27 H32 B Br2 Cl3 Co F2 N7 O4
• SMILES: Brc1c(c2n(c1C)[B](F)(F)[n]1c(c(Br)c(c1=C2c1cc[n]([Co]23(Cl)([N](O)=C(C(=N2=O)C)C)[N](O)=C(C(=N3=O)C)C)cc1)C)C)C.ClCCl
• Title of publication: Light-Driven Hydrogen Evolution by BODIPY-Sensitized Cobaloxime Catalysts.
• Authors of publication: Bartelmess, Juergen; Francis, Aaron J.; El Roz, Karim A.; Castellano, Felix N.; Weare, Walter W.; Sommer, Roger D.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 9
• Pages of publication: 4527 - 4534
• a: 8.6485 ± 0.0004 Å
• b: 12.5074 ± 0.0005 Å
• c: 16.9781 ± 0.0008 Å
• α: 82.983 ± 0.002°
• β: 79.078 ± 0.002°
• γ: 72.351 ± 0.002°
• Cell volume: 1714.27 ± 0.13 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0557
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0882
• Weighted residual factors for all reflections included in the refinement: 0.0958
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No