Information card for entry 7007628

Structure parameters

• Formula: C25 H49 Cr N6
• Calculated formula: C25 H49 Cr N6
• SMILES: [Cr]123([N](=C(N1C(C)(C)C)C)C(C)(C)C)([N](=C(N3C(C)(C)C)C)C(C)(C)C)[n]1[n]2c(cc1C)C
• Title of publication: Synthesis, structural characterization, and properties of chromium(III) complexes containing amidinato ligands and eta2-pyrazolato, eta(2)-1,2,4-triazolato, or eta1-tetrazolato ligands.
• Authors of publication: El-Kadri, Oussama M; Heeg, Mary Jane; Winter, Charles H.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 37
• Pages of publication: 4506 - 4513
• a: 11.4967 ± 0.0008 Å
• b: 16.5226 ± 0.0012 Å
• c: 15.3293 ± 0.001 Å
• α: 90°
• β: 95.526 ± 0.002°
• γ: 90°
• Cell volume: 2898.4 ± 0.3 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 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: 0.0508
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0917
• Weighted residual factors for all reflections included in the refinement: 0.0991
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No