Information card for entry 7007626

Structure parameters

• Formula: C24 H50 Cl Cr N4 O
• Calculated formula: C24 H50 Cl Cr N4 O
• SMILES: [Cr]12(Cl)([N](C(C)(C)C)=C(N1C(C)(C)C)C)([N](C(C)(C)C)=C(N2C(C)(C)C)C)[O]1CCCC1
• 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: 16.8292 ± 0.0012 Å
• b: 9.9533 ± 0.0007 Å
• c: 16.8115 ± 0.0012 Å
• α: 90°
• β: 94.959 ± 0.003°
• γ: 90°
• Cell volume: 2805.5 ± 0.3 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 6
• 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: 0.0432
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0933
• Weighted residual factors for all reflections included in the refinement: 0.0979
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No