Information card for entry 2215682

Structure parameters

• Chemical name: Bis(5,8-diazoniadispiro[4.2.4.2]tetradecane) hexakis(thiocyanato-κN)- manganate(II)
• Formula: C30 H48 Mn N10 S6
• Calculated formula: C30 H48 Mn N10 S6
• SMILES: C(=N[Mn](N=C=S)(N=C=S)(N=C=S)(N=C=S)N=C=S)=S.C1CCC[N+]21CC[N+]1(CC2)CCCC1.C1CCC[N+]21CC[N+]1(CC2)CCCC1
• Title of publication: Bis(5,8-diazoniadispiro[4.2.4.2]tetradecane) hexakis(thiocyanato-κ<i>N</i>)manganate(II)
• Authors of publication: Li, Yu-Xiao; Guo, Xiao-Ling; Wang, Zheguang; Niu, Yunyin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 10
• Pages of publication: m2568 - m2568
• a: 9.8816 ± 0.0015 Å
• b: 13.382 ± 0.002 Å
• c: 15.173 ± 0.002 Å
• α: 90°
• β: 102.431 ± 0.003°
• γ: 90°
• Cell volume: 1959.4 ± 0.5 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0621
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1268
• Weighted residual factors for all reflections included in the refinement: 0.1411
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes