Information card for entry 4110087

Structure parameters

• Common name: CrCrFe(dpa)4Cl2.0.965Et2O.0.035CH2Cl2
• Formula: C43.9 H41.72 Cl2.07 Cr2 Fe N12 O0.96
• Calculated formula: C43.91 H41.76 Cl2.06 Cr2 Fe N12 O0.97
• Title of publication: Introducing a Metal-Metal Multiply Bonded Group as an "Axial Ligand" to Iron: Synthetic Design of a Linear Cr-Cr...Fe Framework
• Authors of publication: Michael Nippe; John F. Berry
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 12684 - 12685
• a: 16.0078 ± 0.0009 Å
• b: 15.7414 ± 0.0009 Å
• c: 17.0067 ± 0.001 Å
• α: 90°
• β: 98.241 ± 0.001°
• γ: 90°
• Cell volume: 4241.2 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0465
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0921
• Weighted residual factors for all reflections included in the refinement: 0.0988
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No