Information card for entry 7016708

Structure parameters

• Formula: C28 H30 Cl Co N5 O S
• Calculated formula: C28 H30 Cl Co N5 O S
• SMILES: [Co]12(Cl)([O]=S(C)C)n3c(=Nc4[n]1c1c(cc4)CCCC1)c1ccccc1c3=Nc1[n]2c2c(cc1)CCCC2
• Title of publication: Bis(2-pyridylimino)isoindolato iron(ii) and cobalt(ii) complexes: Structural chemistry and paramagnetic NMR spectroscopy.
• Authors of publication: Kruck, Matthias; Sauer, Désirée C; Enders, Markus; Wadepohl, Hubert; Gade, Lutz H.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 40
• Pages of publication: 10406 - 10415
• a: 16.954 ± 0.009 Å
• b: 8.904 ± 0.005 Å
• c: 17.198 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2596 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0571
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0672
• Weighted residual factors for all reflections included in the refinement: 0.0725
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No