Information card for entry 4103230

Structure parameters

• Formula: C41 H34 Cl4 Cr2 Fe N12
• Calculated formula: C41 H34 Cl4 Cr2 Fe N12
• Title of publication: Crystals in Which Some Metal Atoms are More Equal Than Others: Inequalities From Crystal Packing and Their Spectroscopic/Magnetic Consequences
• Authors of publication: Michael Nippe; Jingfang Wang; Eckhard Bill; Håkon Hope; Naresh S. Dalal; John F. Berry
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 14261 - 14272
• a: 11.3147 ± 0.0006 Å
• b: 14.0739 ± 0.0008 Å
• c: 12.8472 ± 0.0007 Å
• α: 90°
• β: 90 ± 0.005°
• γ: 90°
• Cell volume: 2045.81 ± 0.19 ų
• Cell temperature: 12 ± 2 K
• Ambient diffraction temperature: 12 ± 2 K
• Number of distinct elements: 6
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0242
• Residual factor for significantly intense reflections: 0.0238
• Weighted residual factors for significantly intense reflections: 0.0576
• Weighted residual factors for all reflections included in the refinement: 0.0579
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No