Information card for entry 4109617

Structure parameters

• Formula: C47 H63 Cr N4
• Calculated formula: C47 H63 Cr N4
• SMILES: [Cr]1(N(c2c(C(C)C)cccc2C(C)C)C(=CC(=[N]1c1c(C(C)C)cccc1C(C)C)C)C)(=Nc1c(C)cc(C)cc1C)=Nc1c(C)cc(C)cc1C
• 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: 10.6436 ± 0.0001 Å
• b: 27.3407 ± 0.0004 Å
• c: 15.3227 ± 0.0002 Å
• α: 90°
• β: 101.695 ± 0.001°
• γ: 90°
• Cell volume: 4366.39 ± 0.1 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1016
• Residual factor for significantly intense reflections: 0.0692
• Weighted residual factors for significantly intense reflections: 0.1766
• Weighted residual factors for all reflections included in the refinement: 0.2083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No