Information card for entry 7051038

Structure parameters

• Formula: C30 H68 Fe N18 Ni2 O8
• Calculated formula: C30 H44 Fe N18 Ni2 O8
• Title of publication: [NiL]2[Fe(CN)6]·4H2O [L = 3,10-bis(2-hydroxyethyl)-1,3,5,8,10,12-hexaazacyclotetradecane]: a novel three-dimensional iron(II)‒nickel(II) cyanide-bridged bimetallic assembly with a vat-like structure
• Authors of publication: Lu, Tongbu; Xiang, Hua; Su, Chengyong; Cheng, Peng; Mao, Zongwan; Ji, Liangnian
• Journal of publication: New Journal of Chemistry
• Year of publication: 2001
• Journal volume: 25
• Journal issue: 2
• Pages of publication: 216
• a: 24.684 ± 0.004 Å
• b: 15.202 ± 0.002 Å
• c: 25.368 ± 0.004 Å
• α: 90°
• β: 97.78 ± 0.003°
• γ: 90°
• Cell volume: 9432 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1235
• Residual factor for significantly intense reflections: 0.0789
• Weighted residual factors for significantly intense reflections: 0.1783
• Weighted residual factors for all reflections included in the refinement: 0.2047
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No