Information card for entry 4109618

Structure parameters

• Formula: C76 H106 Cr2 N6
• Calculated formula: C76 H106 Cr2 N6
• SMILES: c1(C(C)C)c([N]2=C(C)C=C(N(c3c(C(C)C)cccc3C(C)C)[Cr]342N(c2ccccc2)[Cr]24([N](c4c(C(C)C)cccc4C(C)C)=C(C)C=C(N2c2c(C(C)C)cccc2C(C)C)C)N3c2ccccc2)C)c(C(C)C)ccc1.CCCCCC
• Title of publication: Inverted-Sandwich Dichromium(I) Complexes Supported by Two β-Diketiminates: A Multielectron Reductant and Syntheses of Chromium Dioxo and Imido
• Authors of publication: Yi-Chou Tsai; Po-Yang Wang; Shin-An Chen; Jin-Ming Chen
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 8066 - 8067
• a: 12.136 ± 0.0003 Å
• b: 12.864 ± 0.0005 Å
• c: 13.146 ± 0.0005 Å
• α: 89.143 ± 0.001°
• β: 66.039 ± 0.001°
• γ: 68.073 ± 0.002°
• Cell volume: 1717.02 ± 0.11 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1607
• Residual factor for significantly intense reflections: 0.0943
• Weighted residual factors for significantly intense reflections: 0.2298
• Weighted residual factors for all reflections included in the refinement: 0.2728
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No