Information card for entry 7105220

Structure parameters

• Formula: C36 H30 Co Fe N18
• Calculated formula: C36 H30 Co Fe N18
• SMILES: c1cc2c3ccc(N)c[n]3[Co]34([n]2cc1N)([n]1cc(ccc1c1ccc(N)c[n]31)N)[n]1cc(ccc1c1ccc(N)c[n]41)N.N#C[Fe](C#N)(C#N)(C#N)(C#N)C#N
• Title of publication: Microscale hexagonal rods of a charge-assisted second-sphere coordination compound [Co(DABP)3][Fe(CN)6].
• Authors of publication: Zhuge, Fuyu; Wu, Biao; Yang, Jin; Janiak, Christoph; Tang, Ning; Yang, Xiao-Juan
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 7
• Pages of publication: 1121 - 1123
• a: 15.7475 ± 0.0008 Å
• b: 15.7475 ± 0.0008 Å
• c: 25.5829 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5494.2 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1237
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1149
• Weighted residual factors for all reflections included in the refinement: 0.1483
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No