Information card for entry 7016706

Structure parameters

• Formula: C26 H25 N5
• Calculated formula: C26 H25 N5
• SMILES: [nH]1c(=Nc2nc3c(cc2)CCCC3)c2ccccc2c1=Nc1nc2c(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: 11.864 ± 0.005 Å
• b: 15.282 ± 0.006 Å
• c: 12.121 ± 0.005 Å
• α: 90°
• β: 111.42 ± 0.01°
• γ: 90°
• Cell volume: 2045.8 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0529
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.113
• Weighted residual factors for all reflections included in the refinement: 0.1246
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No