Information card for entry 7033814

Structure parameters

• Formula: C76 H104 Cu2 Fe2 N26 O7
• Calculated formula: C76 H90 Cu2 Fe2 N26 O7
• SMILES: [Cu]12([N]#C[Fe]34([n]5c(cc(cc5c5nc6c(n45)cccc6)c4cc5[n]6[Fe](n7c(nc8c7cccc8)c6c4)(n4c5nc5c4cccc5)(C#N)(C#[N][Cu]45([NH2][C@@H]6[C@@H]([NH2]4)CCCC6)[NH2][C@@H]4[C@@H]([NH2]5)CCCC4)C#N)c4nc5ccccc5n34)(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.OC.OC.O
• 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: 10.2833 ± 0.0016 Å
• b: 13.8961 ± 0.0018 Å
• c: 18.0725 ± 0.0012 Å
• α: 79.813 ± 0.008°
• β: 85.233 ± 0.008°
• γ: 68.301 ± 0.013°
• Cell volume: 2361.3 ± 0.5 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: 0.1088
• Residual factor for significantly intense reflections: 0.0746
• Weighted residual factors for significantly intense reflections: 0.2114
• Weighted residual factors for all reflections included in the refinement: 0.2477
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No