Information card for entry 4307764

Structure parameters

• Formula: C44 H60 B Fe N12 O
• Calculated formula: C44 H60 B Fe N12 O
• SMILES: [BH]12n3c4c(c[n]3[Fe](C#N)(C#N)(C#N)([n]3cc5ccccc5n13)[n]1cc3ccccc3n21)cccc4.CCCC[N+](CCCC)(CCCC)CCCC.CC#N.CC#N.O
• Title of publication: Cyano-Bridged FeIII2CuII3 and FeIII4NiII4 Complexes: Syntheses, Structures, and Magnetic Properties
• Authors of publication: Zhi-Guo Gu; Wei Liu; Qiao-Fang Yang; Xin-Hui Zhou; Jing-Lin Zuo; Xiao-Zeng You
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 3236 - 3244
• a: 12.003 ± 0.003 Å
• b: 13.907 ± 0.003 Å
• c: 16.065 ± 0.004 Å
• α: 95.431 ± 0.005°
• β: 109.997 ± 0.004°
• γ: 106.291 ± 0.004°
• Cell volume: 2364.2 ± 1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0958
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for significantly intense reflections: 0.113
• Weighted residual factors for all reflections included in the refinement: 0.1199
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No