Information card for entry 4325963

Structure parameters

• Formula: C41 H34 Cl4 Cr2 N12 Zn
• Calculated formula: C41 H34 Cl4 Cr2 N12 Zn
• 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: 12.8753 ± 0.0004 Å
• b: 14.0725 ± 0.0004 Å
• c: 11.3494 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2056.37 ± 0.11 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 34
• Hermann-Mauguin space group symbol: P n n 2
• Hall space group symbol: P 2 -2n
• Residual factor for all reflections: 0.0257
• Residual factor for significantly intense reflections: 0.0252
• Weighted residual factors for significantly intense reflections: 0.0652
• Weighted residual factors for all reflections included in the refinement: 0.0654
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No