Information card for entry 7017417

Structure parameters

• Formula: C36 H30 Fe2 N6 O6 Zn3
• Calculated formula: C36 H30 Fe2 N6 O6 Zn3
• SMILES: [Fe]12345[Zn]67([Fe]89([Zn]16([n]1ccccc1)([n]1ccccc1)(C3=O)C8=O)([Zn]2([n]1ccccc1)([n]1ccccc1)(C4=O)C9=O)C7=O)([n]1ccccc1)([n]1ccccc1)C5=O
• 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: 20.0442 ± 0.0008 Å
• b: 10.0158 ± 0.0004 Å
• c: 18.6317 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3740.5 ± 0.3 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0603
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0644
• Weighted residual factors for all reflections included in the refinement: 0.071
• 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