Information card for entry 7012400

Structure parameters

• Formula: C28 H54 Co2 K2 N24 O9 W2
• Calculated formula: C28 H36 Co2 K2 N24 O9 W2
• SMILES: [W]1(C#[N][Co]234([N]#C[W](C#[N][Co]567([N]#C1)[N](CC[NH2]5)(CC[NH2]6)CC[NH2]7)(C#N)(C#N)(C#N)(C#N)(C#N)C#N)[N](CC[NH2]2)(CC[NH2]3)CC[NH2]4)(C#N)(C#N)(C#N)(C#N)(C#N)C#N.[K+].[K+].O.O.O.O.O.O.O.O.O
• Title of publication: Self-assembly of tetranuclear {[Co(trien)]2[W(CN)8]2}2– or {[Co(tren)]2[W(CN)8]2}2– squares with alternating aliphatic tetramine Co(III) and octacyanotungstate(IV) corners
• Authors of publication: Kania, Rafał; Lewiński, Krzysztof; Sieklucka, Barbara
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 5
• Pages of publication: 1033 - 1040
• a: 11.783 ± 0.0002 Å
• b: 13.064 ± 0.0002 Å
• c: 16.465 ± 0.0002 Å
• α: 84.77 ± 0.0008°
• β: 83.429 ± 0.0007°
• γ: 88.595 ± 0.0006°
• Cell volume: 2507.12 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1182
• Residual factor for significantly intense reflections: 0.0978
• Weighted residual factors for significantly intense reflections: 0.2612
• Weighted residual factors for all reflections included in the refinement: 0.2745
• Goodness-of-fit parameter for all reflections included in the refinement: 1.142
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No