Information card for entry 2236005

Structure parameters

• Chemical name: <i>catena</i>-Poly[[bis(thiocyanato-κ<i>N</i>)cobalt(II)]-di-μ-thiourea- κ^4^<i>S</i>:<i>S</i>]
• Formula: C4 H8 Co N6 S4
• Calculated formula: C4 H8 Co N6 S4
• SMILES: [Co]1(N=C=S)(N=C=S)([S](=C(N)N)[Co]([S]1=C(N)N)(N=C=S)N=C=S)([S]=C(N)N)[S]=C(N)N
• Title of publication: <i>catena</i>-Poly[[bis(thiocyanato-κ<i>N</i>)cobalt(II)]-di-μ-thiourea-κ^4^<i>S</i>:<i>S</i>]
• Authors of publication: Rajarajan, K.; Sendil Kumar, K.; Ramesh, V.; Shihabuddeen, V.; Murugavel, S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 8
• Pages of publication: m1125 - m1126
• a: 3.855 ± 0.003 Å
• b: 7.585 ± 0.002 Å
• c: 10.094 ± 0.002 Å
• α: 92.424 ± 0.003°
• β: 98.172 ± 0.002°
• γ: 104.166 ± 0.002°
• Cell volume: 282.4 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0199
• Residual factor for significantly intense reflections: 0.0189
• Weighted residual factors for significantly intense reflections: 0.0518
• Weighted residual factors for all reflections included in the refinement: 0.0524
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes