Information card for entry 7027406

Structure parameters

• Formula: C42 H96 Fe2 N30 Ni3 O9
• Calculated formula: C42 H66 Fe2 N30 Ni3 O9
• Title of publication: Synthesis, crystal structure and metamagnetic properties of a two-dimensional honeycomb network based on ferricyanide and (3,10-dimethyl-1,3,5,8,10,12-hexaazacyclotetradecane)nickel(II) building blocks †
• Authors of publication: Kou, Hui-Zhong; Gao, Song; Bu, Wei-Ming; Liao, Dai-Zheng; Ma, Bao-Qing; 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: 1999
• Journal issue: 15
• Pages of publication: 2477
• a: 14.809 ± 0.003 Å
• b: 14.809 ± 0.003 Å
• c: 18.39 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3492.7 ± 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: 0.0526
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for all reflections: 0.1255
• Weighted residual factors for significantly intense reflections: 0.109
• Goodness-of-fit parameter for all reflections: 0.991
• Goodness-of-fit parameter for significantly intense reflections: 1.134
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No