Information card for entry 1561150

Structure parameters

• Formula: C52 H60 Cu Fe2 N16 O8
• Calculated formula: C52 H60 Cu Fe2 N16 O8
• SMILES: [NH]12CCC[NH]3[Cu]42([N]#C[Fe]256(C#N)N(c7c(cc(cc7)C)N2C(=O)c2[n]6cccc2)C(=O)c2[n]5cccc2)([N]#C[Fe]256(C#N)N(c7c(cc(cc7)C)N2C(=O)c2[n]6cccc2)C(=O)c2[n]5cccc2)[NH](CC1)CCC[NH]4CC3.O.O.O.O
• Title of publication: A serials of sandwich-like trinuclear and one-dimensional chain cyanide-bridged iron(III)-copper(II) complexes: Syntheses, crystal structures and magnetic properties
• Authors of publication: Shi, Jingwen; Lan, Wenlong; Ren, Yanjie; Liu, Qingyun; Liu, Hui; Dong, Yunhui; Zhang, Daopeng
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2018
• Journal volume: 260
• Pages of publication: 59 - 66
• a: 15.514 ± 0.005 Å
• b: 13.431 ± 0.004 Å
• c: 13.041 ± 0.004 Å
• α: 90°
• β: 91.312 ± 0.006°
• γ: 90°
• Cell volume: 2716.6 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1068
• Residual factor for significantly intense reflections: 0.0853
• Weighted residual factors for significantly intense reflections: 0.2204
• Weighted residual factors for all reflections included in the refinement: 0.2348
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No