Information card for entry 4325966

Structure parameters

• Formula: C40 H32 Cl4 Cr2 N12 Zn2
• Calculated formula: C40 H32 Cl4 Cr2 N12 Zn2
• SMILES: [Zn]1(Cl)(Cl)[n]2c(N3[Cr]456[Cr]78([Cl][Zn](Cl)([n]9ccccc9N8c8[n]4cccc8)[n]4ccccc4N7c4[n]5cccc4)([n]4c3cccc4)[n]3ccccc3N6c3[n]1cccc3)cccc2
• Title of publication: Group 6 Complexes with Iron and Zinc Heterometals: Understanding the Structural, Spectroscopic, and Electrochemical Properties of a Complete Series of M M...M' Compounds
• Authors of publication: Michael Nippe; Eckhard Bill; John F. Berry
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 7650 - 7661
• a: 12.6071 ± 0.0005 Å
• b: 15.2828 ± 0.0007 Å
• c: 16.3291 ± 0.0007 Å
• α: 116.321 ± 0.002°
• β: 98.836 ± 0.002°
• γ: 101.24 ± 0.002°
• Cell volume: 2660.8 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 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: 0.0268
• Residual factor for significantly intense reflections: 0.0227
• Weighted residual factors for significantly intense reflections: 0.0615
• Weighted residual factors for all reflections included in the refinement: 0.063
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No