Information card for entry 2214816

Structure parameters

• Chemical name: trans-Bis{2-[3-(cyclohexylamino)propyliminomethyl]phenolato- κ^2^N,O}bis(thiocyanato-κN)iron(II)
• Formula: C34 H48 Fe N6 O2 S2
• Calculated formula: C34 H48 Fe N6 O2 S2
• SMILES: C1c2c(cccc2)O[Fe]2([N]=1CCC[NH2+]C1CCCCC1)([N](=Cc1c(cccc1)O2)CCC[NH2+]C1CCCCC1)(N=C=S)N=C=S
• Title of publication: <i>trans</i>-Bis{2-[3-(cyclohexylamino)propyliminomethyl]phenolato-κ^2^<i>N</i>,<i>O</i>}bis(thiocyanato-κ<i>N</i>)iron(II)
• Authors of publication: Chen, Kun; Zhang, Ying-Lao; Feng, Ming-Qian; Liu, Chang-Hong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: m2033 - m2033
• a: 10.912 ± 0.007 Å
• b: 7.797 ± 0.005 Å
• c: 20.778 ± 0.013 Å
• α: 90°
• β: 96.899 ± 0.013°
• γ: 90°
• Cell volume: 1755 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.1347
• Residual factor for significantly intense reflections: 0.0624
• Weighted residual factors for significantly intense reflections: 0.1415
• Weighted residual factors for all reflections included in the refinement: 0.1977
• Goodness-of-fit parameter for all reflections included in the refinement: 0.852
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes