Information card for entry 2207435

Structure parameters

• Chemical name: catena-Poly[[bis(thiocyanato-κN)cobalt(II)]-di-μ-2-aminobenzonitrile- κ^2^N,N']
• Formula: C16 H12 Co N6 S2
• Calculated formula: C16 H12 Co N6 S2
• SMILES: [Co]1(N=C=S)(N=C=S)[NH2]c2ccccc2C#[N][Co](N=C=S)(N=C=S)([NH2]c2ccccc2C#[N]1)([N]#Cc1c(N)cccc1)[NH2]c1ccccc1C#N
• Title of publication: <i>catena</i>-Poly[[bis(thiocyanato-κ<i>N</i>)cobalt(II)]-di-μ-2-aminobenzonitrile-κ^2^<i>N</i>,<i>N</i>']
• Authors of publication: Moitsheki, Lesego J.; Bourne, Susan A.; Nassimbeni, Luigi R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 12
• Pages of publication: m2580 - m2581
• a: 22.088 ± 0.004 Å
• b: 7.556 ± 0.0015 Å
• c: 11.152 ± 0.002 Å
• α: 90°
• β: 113.56 ± 0.03°
• γ: 90°
• Cell volume: 1706.1 ± 0.7 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0372
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.0643
• Weighted residual factors for all reflections included in the refinement: 0.0679
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes