Information card for entry 7017419

Structure parameters

• Formula: C38 H54 Co2 O9 Zn3
• Calculated formula: C38 H54 Co2 O9 Zn3
• SMILES: [c]12([c]3([c]4([c]5([c]1(C)[Zn]12345[Co]2(C#[O])(C#[O])([Zn]([O]3CCCC3)([O]3CCCC3)[Co]1(C#[O])(C#[O])(C#[O])[Zn]13452[c]2([c]1([c]3([c]4([c]52C)C)C)C)C)C#[O])C)C)C)C.O1CCCC1
• Title of publication: Zinc-rich compounds of iron and cobalt: Formation of [Fe(2)Zn(n)] (n = 2-4) and [Co(2)Zn(3)] cores.
• Authors of publication: Bollermann, Timo; Schwedler, Inke; Molon, Mariusz; Freitag, Kerstin; Gemel, Christian; Seidel, Rüdiger W; Fischer, Roland A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 46
• Pages of publication: 12570 - 12577
• a: 16.7762 ± 0.0006 Å
• b: 17.0143 ± 0.0006 Å
• c: 14.2531 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4068.3 ± 0.2 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0578
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0647
• Weighted residual factors for all reflections included in the refinement: 0.0733
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No