Information card for entry 8101988

Structure parameters

• Chemical name: dichloro(3-cyclopentadienyl-3-methyl-1-phenylbutyliden-2,6- dimethylphenylamino)chrom(III)
• Formula: C24 H26 Cl2 Cr N
• Calculated formula: C24 H26 Cl2 Cr N
• SMILES: [Cr]12345(Cl)(Cl)[N](=C(c6ccccc6)CC(C)(C)[c]61[cH]2[cH]3[cH]4[cH]56)c1c(cccc1C)C
• Title of publication: Crystal structure of dichloro(3-cyclopentadienyl-3-methyl-1-phenyl- butyliden-2,6-dimethylphenyl-amino)chromium(III), CrCl~2~(C~24~H~26~N)
• Authors of publication: Steiner, G.; Wurst, K.; Bildstein, B.; Kopacka, H.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2006
• Journal volume: 221
• Journal issue: 3
• Pages of publication: 303 - 304
• a: 11.5168 ± 0.0005 Å
• b: 13.9721 ± 0.0006 Å
• c: 14.1146 ± 0.0004 Å
• α: 90°
• β: 104.628 ± 0.002°
• γ: 90°
• Cell volume: 2197.61 ± 0.15 ų
• Cell temperature: 233 ± 2 K
• Ambient diffraction temperature: 233 ± 2 K
• Number of distinct elements: 5
• 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: 0.0648
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0865
• Weighted residual factors for all reflections included in the refinement: 0.0951
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No