Information card for entry 7039786

Structure parameters

• Formula: C88 H64 N28 Ni3 O8 W2
• Calculated formula: C88 H50 N28 Ni3 O8 W2
• Title of publication: Ligand dependent topology and spontaneous resolution in high-spin cyano-bridged Ni3W2 clusters.
• Authors of publication: Nowicka, Beata; Reczyński, Mateusz; Rams, Michał; Wasiutyński, Tadeusz; Nitek, Wojciech; Sieklucka, Barbara
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 31
• Pages of publication: 12423 - 12431
• a: 15.722 ± 0.005 Å
• b: 18.774 ± 0.005 Å
• c: 21.543 ± 0.005 Å
• α: 107.775 ± 0.005°
• β: 103.762 ± 0.005°
• γ: 95.698 ± 0.005°
• Cell volume: 5779 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0502
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.1009
• Weighted residual factors for all reflections included in the refinement: 0.1095
• Goodness-of-fit parameter for all reflections included in the refinement: 0.973
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No