Information card for entry 7051118

Structure parameters

• Formula: C48 H126 Cr2 N30 Ni3 O24
• Calculated formula: C48 H106.02 Cr2 N30 Ni3 O14
• Title of publication: [NiL1]3[Cr(CN)6]2·18H2O [L1=3,10-bis(2-hydroxyethyl)- 1,3,5,8,10,12-hexaazacyclotetradecane]: a two-dimensional bimetallic assembly exhibiting antiferromagnetic ordering and metamagnetic behavior
• Authors of publication: Xiang, Hua; Gao, Song; Lu, Tong-Bu; Luck, Rudy L.; Mao, Zong-Wan; Chen, Xiao-Ming; Ji, Liang-Nian
• Journal of publication: New Journal of Chemistry
• Year of publication: 2001
• Journal volume: 25
• Journal issue: 6
• Pages of publication: 875
• a: 15.049 ± 0.002 Å
• b: 15.049 ± 0.002 Å
• c: 18.794 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3686.1 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 165
• Hermann-Mauguin space group symbol: P -3 c 1
• Hall space group symbol: -P 3 2"c
• Residual factor for all reflections: 0.0748
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0859
• Weighted residual factors for all reflections included in the refinement: 0.1007
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No