Information card for entry 7032589

Structure parameters

• Formula: C58 H60 Co N6 S2
• Calculated formula: C58 H60 Co N6 S2
• SMILES: C(=N[Co]([n]1ccc(cc1)CCCc1ccccc1)([n]1ccc(cc1)CCCc1ccccc1)(N=C=S)([n]1ccc(cc1)CCCc1ccccc1)[n]1ccc(cc1)CCCc1ccccc1)=S
• Title of publication: A Co(ii) thiocyanato coordination polymer with 4-(3-phenylpropyl)pyridine: the influence of the co-ligand on the magnetic properties.
• Authors of publication: Werner, Julia; Rams, Michał; Tomkowicz, Zbigniew; Näther, Christian
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 46
• Pages of publication: 17333 - 17342
• a: 9.4597 ± 0.0007 Å
• b: 11.38 ± 0.0009 Å
• c: 13.1332 ± 0.001 Å
• α: 72.399 ± 0.009°
• β: 82.89 ± 0.009°
• γ: 70.483 ± 0.009°
• Cell volume: 1269.78 ± 0.19 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.058
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.1009
• Weighted residual factors for all reflections included in the refinement: 0.1069
• Goodness-of-fit parameter for all reflections included in the refinement: 0.955
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No