Information card for entry 7005390

Structure parameters

• Formula: C74 H88 Mn3 N14 O20 W
• Calculated formula: C74 H72 Mn3 N14 O20 W
• SMILES: [Mn]123([N](=Cc4c(c(ccc4)OC)O2)[C@H]2CCCC[C@@H]2[N]1=Cc1cccc(c1O3)OC)([OH2])[OH2].[Mn]123([N](=Cc4c(c(ccc4)OC)O2)[C@@H]2CCCC[C@H]2[N]1=Cc1cccc(c1O3)OC)([OH2])[OH2].[Mn]123([N](=Cc4c(c(ccc4)OC)O3)[C@H]3CCCC[C@@H]3[N]1=Cc1cccc(c1O2)OC)([OH2])[OH2].[W](C#N)(C#N)(C#N)(C#N)(C#N)(C#N)(C#N)C#N.O.O.[Mn]123([N](=Cc4c(c(ccc4)OC)O2)[C@@H]2CCCC[C@H]2[N]1=Cc1cccc(c1O3)OC)([OH2])[OH2].[Mn]123([N](=Cc4c(c(ccc4)OC)O2)[C@H]2CCCC[C@@H]2[N]1=Cc1cccc(c1O3)OC)([OH2])[OH2].[Mn]123([N](=Cc4c(c(ccc4)OC)O3)[C@@H]3CCCC[C@H]3[N]1=Cc1cccc(c1O2)OC)([OH2])[OH2].[W](C#N)(C#N)(C#N)(C#N)(C#N)(C#N)(C#N)C#N.O.O
• Title of publication: Two WV-MnIII bimetallic assemblies built by octacyanotungstate(v) and MnIII Schiff bases: molecular structures and a spin-flop transition.
• Authors of publication: Ko, Hyun Hee; Lim, Jeong Hak; Yoo, Houng Sik; Kang, Jun Sung; Kim, Hyoung Chan; Koh, Eui Kwan; Hong, Chang Seop
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 20
• Pages of publication: 2070 - 2076
• a: 14.2217 ± 0.0004 Å
• b: 13.3935 ± 0.0003 Å
• c: 43.7623 ± 0.0011 Å
• α: 90°
• β: 97.799 ± 0.002°
• γ: 90°
• Cell volume: 8258.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2498
• Residual factor for significantly intense reflections: 0.0778
• Weighted residual factors for significantly intense reflections: 0.1982
• Weighted residual factors for all reflections included in the refinement: 0.2679
• Goodness-of-fit parameter for all reflections included in the refinement: 0.925
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No