Information card for entry 7009741

Structure parameters

• Formula: C48 H106 Fe2 N30 Ni3 O14
• Calculated formula: C48 H90 Fe2 N30 Ni3 O14
• Title of publication: Reactions between macrocyclic nickel(II) complexes and ferricyanide. Metamagnetic properties of a two-dimensional honeycomb assembly [NiL3]3[Fe(CN)6]2·8H2O (L3 = 3,10-dihydroxyethyl-1,3,6,8,10,12-hexaazacyclotetradecane) †
• Authors of publication: Kou, Hui-Zhong; Bu, Wei-Ming; Gao, Song; Liao, Dai-Zheng; Jiang, Zong-Hui; Yan, Shi-Ping; Fan, Yu-Guo; Wang, Geng-Lin
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 17
• Pages of publication: 2996
• a: 14.993 ± 0.003 Å
• b: 14.993 ± 0.003 Å
• c: 18.45 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3591.7 ± 1.2 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: 0.0509
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for all reflections: 0.0721
• Weighted residual factors for significantly intense reflections: 0.0652
• Goodness-of-fit parameter for all reflections: 1.169
• Goodness-of-fit parameter for significantly intense reflections: 1.455
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No