Information card for entry 7220053

Structure parameters

• Chemical name: catena-(hexakis(?2-cyanido)-decacyanido-tris(1,4,8,11-tetraazacyclotetra decane)-tri-nickel-di-tungsten solvate)
• Formula: C48 H96 N28 Ni3 O10 W2
• Calculated formula: C47.9996 H48 N28 Ni3 O10 W2
• Title of publication: Larger pores and higher Tc: {[Ni(cyclam)]3[W(CN)8]2·solv}n‒ a new member of the largest family of pseudo-polymorphic isomers among octacyanometallate-based assemblies
• Authors of publication: Nowicka, Beata; Reczyński, Mateusz; Rams, Michał; Nitek, Wojciech; Kozieł, Marcin; Sieklucka, Barbara
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 18
• Pages of publication: 3526
• a: 32.105 ± 0.005 Å
• b: 15.068 ± 0.005 Å
• c: 9.331 ± 0.005 Å
• α: 90°
• β: 90.772 ± 0.005°
• γ: 90°
• Cell volume: 4514 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0354
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0866
• Weighted residual factors for all reflections included in the refinement: 0.0892
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No