Information card for entry 4343084

Structure parameters

• Formula: C58 H54 Co3 N22 O15 W2
• Calculated formula: C58 H54 Co3 N22 O15 W2
• SMILES: [W]12(C#N)(C#N)(C#[N][Co]34([N]#C[W]([C]#N)(C#N)(C#[N][Co]56([N]#C1)([n]1c([C@H]([OH]5)C)cccc1)[OH][C@@H](c1[n]6cccc1)C)(C#[N][Co]15([N]#C2)([n]2c(cccc2)[C@H]([OH]1)C)[OH][C@@H](c1[n]5cccc1)C)(C#N)(C#N)C#N)([OH][C@@H](c1[n]4cccc1)C)[OH][C@H](C)c1[n]3cccc1)(C#N)(C#N)C#N.O.O.O.O.O.O.O.O.O
• Title of publication: Optical Activity and Dehydration-Driven Switching of Magnetic Properties in Enantiopure Cyanido-Bridged Co(II)3W(V)2 Trigonal Bipyramids.
• Authors of publication: Chorazy, Szymon; Podgajny, Robert; Nogaś, Wojciech; Buda, Szymon; Nitek, Wojciech; Mlynarski, Jacek; Rams, Michał; Kozieł, Marcin; Juszyńska Gałązka, Ewa; Vieru, Veacheslav; Chibotaru, Liviu F.; Sieklucka, Barbara
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 12
• Pages of publication: 5784 - 5794
• a: 13.65 ± 0.005 Å
• b: 19.84 ± 0.005 Å
• c: 14.794 ± 0.005 Å
• α: 90 ± 0.005°
• β: 104.169 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 3885 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0453
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0667
• Weighted residual factors for all reflections included in the refinement: 0.0693
• Goodness-of-fit parameter for all reflections included in the refinement: 0.952
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No