Information card for entry 7104371

Structure parameters

• Formula: C60 H74 Cr2 O3
• Calculated formula: C60 H74 Cr2 O3
• SMILES: [Cr]123([Cr](O1)(O2)(=O)c1c(cccc1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)c1c(cccc1[C]13=C(C=CC=C1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C
• Title of publication: Reactions of Ar'CrCrAr' with N2O or N3(1-Ad): complete cleavage of the Cr-Cr quintuple interaction.
• Authors of publication: Ni, Chengbao; Ellis, Bobby D; Long, Gary J; Power, Philip P
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 17
• Pages of publication: 2332 - 2334
• a: 11.96 ± 0.002 Å
• b: 16.72 ± 0.003 Å
• c: 12.861 ± 0.002 Å
• α: 90°
• β: 91.967 ± 0.003°
• γ: 90°
• Cell volume: 2570.3 ± 0.7 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0864
• Residual factor for significantly intense reflections: 0.063
• Weighted residual factors for significantly intense reflections: 0.1519
• Weighted residual factors for all reflections included in the refinement: 0.1681
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No