Information card for entry 4339435

Structure parameters

• Chemical name: [Ni(cyklam)]3 [W(CN)8]2 16H2O
• Formula: C46 H104 N28 Ni3 O16 W2
• Calculated formula: C46 H72 N28 Ni3 O16 W2
• Title of publication: Reversible guest-induced magnetic and structural single-crystal-to-single-crystal transformation in microporous coordination network {[Ni(cyclam)]3[W(CN)8]2}n.
• Authors of publication: Nowicka, Beata; Rams, Michał; Stadnicka, Katarzyna; Sieklucka, Barbara
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 20
• Pages of publication: 8123 - 8125
• a: 8.727 ± 0.0002 Å
• b: 15.2575 ± 0.0004 Å
• c: 15.9146 ± 0.0006 Å
• α: 67.406 ± 0.002°
• β: 87.077 ± 0.001°
• γ: 87.16 ± 0.001°
• Cell volume: 1952.85 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.073
• Residual factor for significantly intense reflections: 0.0632
• Weighted residual factors for significantly intense reflections: 0.14
• Weighted residual factors for all reflections included in the refinement: 0.1436
• Goodness-of-fit parameter for all reflections included in the refinement: 1.199
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No