Information card for entry 7023728

Structure parameters

• Common name: JBW03
• Formula: C27 H33 B Cl4 Co F2 N7 O4
• Calculated formula: C27 H33 B Cl4 Co F2 N7 O4
• SMILES: [Co]12(Cl)([N](O)=C(C(=N1=O)C)C)(N(=O)=C(C(=N2=O)C)C)[n]1cc(Cl)c(cc1)C1=c2[n](c(cc2C)C)[B](n2c1c(cc2C)C)(F)F.C(Cl)Cl
• Title of publication: Synthesis, characterization and structural investigation of novel meso-pyridyl BODIPY-cobaloxime complexes.
• Authors of publication: Bartelmess, Juergen; Weare, Walter W.; Sommer, Roger D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 41
• Pages of publication: 14883 - 14891
• a: 9.8118 ± 0.0003 Å
• b: 15.3669 ± 0.0004 Å
• c: 22.9114 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3454.51 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0727
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.1641
• Weighted residual factors for all reflections included in the refinement: 0.1732
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No