Information card for entry 7023726

Structure parameters

• Common name: JBWW01_B
• Formula: C26 H32 B Cl Co F2 N7 O4
• Calculated formula: C26 H32 B Cl Co F2 N7 O4
• SMILES: [Co]12([N](O)=C(C(=N1=O)C)C)(N(=O)=C(C(=[N]2O)C)C)([n]1ccc(cc1)C1=c2[n](c(cc2C)C)[B](n2c(cc(c12)C)C)(F)F)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: 14.3775 ± 0.0006 Å
• b: 14.6934 ± 0.0005 Å
• c: 14.0989 ± 0.0006 Å
• α: 90°
• β: 97.256 ± 0.002°
• γ: 90°
• Cell volume: 2954.6 ± 0.2 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 8
• 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: 0.0508
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0789
• Weighted residual factors for all reflections included in the refinement: 0.0861
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No