Information card for entry 7033815

Structure parameters

• Formula: C76 H112 Cu2 Fe2 N26 O11
• Calculated formula: C76 H104 Cu2 Fe2 N26 O11
• SMILES: [Cu]12([N]#C[Fe]34([n]5c(c6nc7c(n46)cccc7)cc(cc5c4nc5c(n34)cccc5)c3cc4[n]5[Fe](n6c4nc4ccccc64)(n4c(nc6c4cccc6)c5c3)(C#N)(C#N)C#[N][Cu]34([NH2][C@H]5[C@H]([NH2]3)CCCC5)[NH2][C@H]3[C@H]([NH2]4)CCCC3)(C#N)C#N)([NH2][C@H]3[C@H]([NH2]1)CCCC3)[NH2][C@H]1[C@H]([NH2]2)CCCC1.O=CN(C)C.O=CN(C)C.O.O.O.O.O.OC.O.O.OC
• Title of publication: Synthesis, crystal structures and magnetic properties of mer-cyanideiron(iii)-based 1D heterobimetallic cyanide-bridged chiral coordination polymers.
• Authors of publication: Zhang, Daopeng; Zhuo, Shuping; Zhang, Hongyan; Wang, Ping; Jiang, Jianzhuang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 10
• Pages of publication: 4655 - 4664
• a: 10.2968 ± 0.0006 Å
• b: 13.7993 ± 0.0008 Å
• c: 17.7819 ± 0.0009 Å
• α: 80.207 ± 0.004°
• β: 84.697 ± 0.004°
• γ: 69.378 ± 0.005°
• Cell volume: 2328.8 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0888
• Residual factor for significantly intense reflections: 0.0658
• Weighted residual factors for significantly intense reflections: 0.1646
• Weighted residual factors for all reflections included in the refinement: 0.1804
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No