Information card for entry 4305095

Structure parameters

• Formula: C60 H90 Cl2 Cr2 N4 O2
• Calculated formula: C60 H90 Cl2 Cr2 N4 O2
• SMILES: [Cr]12(N(C=CN2c2c(cccc2C(C)C)C(C)C)c2c(cccc2C(C)C)C(C)C)[Cl][Cr]2(N(C=CN2c2c(cccc2C(C)C)C(C)C)c2c(cccc2C(C)C)C(C)C)([Cl]1)[O]1CCCC1.O(CC)CC
• Title of publication: Synthesis, Characterization, and Electronic Structure of Diimine Complexes of Chromium
• Authors of publication: Kevin A. Kreisel; Glenn P. A. Yap; Klaus H. Theopold
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 5293 - 5303
• a: 12.689 ± 0.005 Å
• b: 13.439 ± 0.006 Å
• c: 18.554 ± 0.008 Å
• α: 82.489 ± 0.007°
• β: 75.715 ± 0.006°
• γ: 82.121 ± 0.006°
• Cell volume: 3022 ± 2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 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: 0.068
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.1406
• Weighted residual factors for all reflections included in the refinement: 0.1499
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No