Information card for entry 2014915

Structure parameters

• Common name: catena-poly[[[N,N'-bis(salicylidene)propane-1,3-diaminato]cobalt(III)]-μ- thiocyanato]
• Chemical name: catena-poly[[[2,2'-[1,3- propanediylbis(nitrilomethylidyne)]diphenolato]cobalt(III)]-μ-thiocyanato]
• Formula: C18 H16 Co N3 O2 S
• Calculated formula: C18 H16 Co N3 O2 S
• SMILES: C1CC[N]2=Cc3c(O[Co]42(N=C=S)Oc2c(cccc2)C=[N]14)cccc3
• Title of publication: <i>catena</i>-Poly[[[<i>N</i>,<i>N</i>'-bis(salicylidene)propane-1,3-diaminato]cobalt(III)]-μ-azido] and <i>catena</i>-poly[[[<i>N</i>,<i>N</i>'-bis(salicylidene)propane-1,3-diaminato]cobalt(III)]-μ-thiocyanato]
• Authors of publication: You, Zhong-Lu
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 6
• Pages of publication: m295 - m297
• a: 12.566 ± 0.007 Å
• b: 11.679 ± 0.007 Å
• c: 11.515 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1689.9 ± 1.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0695
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.1208
• Weighted residual factors for all reflections included in the refinement: 0.1286
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes