Information card for entry 7022913

Structure parameters

• Formula: C16 H36 N2 O4 P2 S2
• Calculated formula: C16 H36 N2 O4 P2 S2
• SMILES: O(P(OC(C)C)(=S)N1CCN(P(OC(C)C)(OC(C)C)=S)CC1)C(C)C
• Title of publication: First structurally characterized self-assembly of bipodal N-thiophosphorylated bis-thiourea with Co(II): magnetic properties and thermal decomposition.
• Authors of publication: Safin, Damir A.; Babashkina, Maria G.; Railliet, Antoine P.; Tumanov, Nikolay A.; Robeyns, Koen; Devlin, Eamonn; Sanakis, Yiannis; Filinchuk, Yaroslav; Garcia, Yann
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 15
• Pages of publication: 5532 - 5538
• a: 17.7793 ± 0.0005 Å
• b: 7.9981 ± 0.0002 Å
• c: 17.2729 ± 0.0006 Å
• α: 90°
• β: 91.163 ± 0.003°
• γ: 90°
• Cell volume: 2455.71 ± 0.13 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0549
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.1039
• Weighted residual factors for all reflections included in the refinement: 0.1117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No