Information card for entry 7054091

Structure parameters

• Formula: C30 H44 Co N4 O8 P2 S4
• Calculated formula: C30 H44 Co N4 O8 P2 S4
• SMILES: [Co]12([S]=P(N=C(S1)Nc1c(cccc1)C(=O)OC)(OC(C)C)OC(C)C)[S]=P(N=C(S2)Nc1c(cccc1)C(=O)OC)(OC(C)C)OC(C)C
• Title of publication: Spin-canted ferromagnetic behaviour and unusual thermal decomposition of [Co{MeO(O)CC6H4NHC(S)NP(S)(OiPr)2}2]
• Authors of publication: Babashkina, Maria G.; Safin, Damir A.; Railliet, Antoine P.; Bolte, Michael; Brzuszkiewicz, Anna; Kozlowski, Henryk; Garcia, Yann
• Journal of publication: New Journal of Chemistry
• Year of publication: 2012
• Journal volume: 36
• Journal issue: 12
• Pages of publication: 2642
• a: 10.4743 ± 0.0008 Å
• b: 11.3943 ± 0.0009 Å
• c: 17.3391 ± 0.0014 Å
• α: 78.149 ± 0.006°
• β: 84.676 ± 0.006°
• γ: 85.234 ± 0.006°
• Cell volume: 2012.2 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0674
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1428
• Weighted residual factors for all reflections included in the refinement: 0.1492
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No