Information card for entry 1561151

Structure parameters

• Formula: C50 H54 Cl2 Cu Fe2 N16 O8
• Calculated formula: C50 H54 Cl2 Cu Fe2 N16 O8
• 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: 15.732 ± 0.005 Å
• b: 13.543 ± 0.004 Å
• c: 12.96 ± 0.004 Å
• α: 90°
• β: 91.5 ± 0.005°
• γ: 90°
• Cell volume: 2760.3 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.1071
• Residual factor for significantly intense reflections: 0.0641
• Weighted residual factors for significantly intense reflections: 0.1564
• Weighted residual factors for all reflections included in the refinement: 0.1801
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No