Information card for entry 4109619

Structure parameters

• Formula: C65 H90 Cr2 N4
• Calculated formula: C65 H90 Cr2 N4
• SMILES: [Cr]123456(N(c7c(C(C)C)cccc7C(C)C)C(=CC(=[N]1c1c(C(C)C)cccc1C(C)C)C)C)[c]17([cH]86[Cr]69%10%111(N(c1c(C(C)C)cccc1C(C)C)C(=CC(=[N]6c1c(C(C)C)cccc1C(C)C)C)C)[cH]27[cH]39[cH]4%10[cH]58%11)C
• 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: 17.7158 ± 0.0002 Å
• b: 15.384 ± 0.0002 Å
• c: 24.9281 ± 0.0004 Å
• α: 90°
• β: 107.906 ± 0.001°
• γ: 90°
• Cell volume: 6464.82 ± 0.16 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1093
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for significantly intense reflections: 0.1613
• Weighted residual factors for all reflections included in the refinement: 0.1815
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No