Information card for entry 7025000

Structure parameters

• Formula: C56 H52 Co3 N40 O6 W2
• Calculated formula: C56 H52 Co3 N40 O6 W2
• SMILES: C1[W](C#N)(C#N)(C#N)(C#N)(C#N)(C#N)C#[N][Co]23([N]#C[W](C#N)(C#N)(C#N)(C#N)(C#N)(C#N)C#[N][Co]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[Co]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: 11.55 ± 0.003 Å
• b: 11.578 ± 0.003 Å
• c: 14.605 ± 0.004 Å
• α: 94.057 ± 0.004°
• β: 95.149 ± 0.005°
• γ: 106.715 ± 0.004°
• Cell volume: 1853.4 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0549
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.0945
• Weighted residual factors for all reflections included in the refinement: 0.0977
• Goodness-of-fit parameter for all reflections included in the refinement: 0.963
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No