Information card for entry 7025001

Structure parameters

• Formula: C56 H52 Mn3 N40 O6 W2
• Calculated formula: C56 H52 Mn3 N40 O6 W2
• SMILES: C1[W](C#N)(C#N)(C#N)(C#N)(C#N)(C#N)C#[N][Mn]23([N]#C[W](C#N)(C#N)(C#N)(C#N)(C#N)(C#N)C#[N][Mn]45([N]#1)([n]1cccn1C(n1ccc[n]41)n1ccc[n]51)[OH2])([n]1cccn1C(n1ccc[n]21)n1ccc[n]31)[OH2].O.O.c1ccn2C3n4ccc[n]4[Mn]45([n]12)([n]1cccn31)[n]1cccn1C(n1ccc[n]41)n1ccc[n]51.O.O
• Title of publication: Octacyanotungstate(v)-based square W(2)M(2) (M = Co, Mn) complexes: synthesis, structure and magnetic properties.
• Authors of publication: Wang, Jun; Xu, Youg-Lu; Zhou, Hong-Bo; Wang, Hui-Sheng; Song, Xiao-Jiao; Song, You; You, Xiao-Zeng
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 14
• Pages of publication: 3489 - 3494
• a: 11.6516 ± 0.0013 Å
• b: 11.6985 ± 0.0013 Å
• c: 14.6004 ± 0.0016 Å
• α: 94.223 ± 0.001°
• β: 95.523 ± 0.001°
• γ: 106.723 ± 0.001°
• Cell volume: 1886.4 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0469
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0738
• Weighted residual factors for all reflections included in the refinement: 0.0848
• Goodness-of-fit parameter for all reflections included in the refinement: 0.956
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No