Information card for entry 4500242

Structure parameters

• Formula: C42 H78 Fe2 N20 Ni2 O5
• Calculated formula: C42 H78 Fe2 N20 Ni2 O5
• SMILES: N#C[Fe]1(C#[N][Ni]234([NH]5CC[NH]2[C@H](C)CC(C)(C)[NH]3CC[NH]4[C@H](C)CC5(C)C)[N]#C[Fe](C#[N][Ni]234([NH]5CC[NH]2[C@@H](C)CC(C)(C)[NH]3CC[NH]4[C@@H](C)CC5(C)C)[N]#C1)(C#N)(C#N)(C#N)N=O)(C#N)(C#N)N=O.O.O.O
• Title of publication: Cyano-Bridged Homochiral Heterometallic Helical Complexes: Synthesis, Structures, Magnetic and Dielectric Properties
• Authors of publication: Zheng, Xiao-Dan; Hua, Yan-Long; Xiong, Ren-Gen; Ge, Jia-Zhen; Lu, Tong-Bu
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 1
• Pages of publication: 302
• a: 27.2264 ± 0.0019 Å
• b: 13.8822 ± 0.001 Å
• c: 18.0322 ± 0.0011 Å
• α: 90°
• β: 123.734 ± 0.001°
• γ: 90°
• Cell volume: 5667.9 ± 0.7 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0801
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.1369
• Weighted residual factors for all reflections included in the refinement: 0.1535
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No