Information card for entry 7007629

Structure parameters

• Formula: C31 H55 Cr F3 N9
• Calculated formula: C31 H55 Cr F3 N9
• SMILES: [Cr]12(n3nc(nn3)C(F)(F)F)([N](=C(N2C(C)(C)C)C)C(C)(C)C)([N](=C(N1C(C)(C)C)C)C(C)(C)C)[n]1ccc(cc1)C(C)(C)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: 9.8463 ± 0.0003 Å
• b: 18.5033 ± 0.0005 Å
• c: 19.5426 ± 0.0005 Å
• α: 90°
• β: 92.67 ± 0.001°
• γ: 90°
• Cell volume: 3556.58 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1406
• Residual factor for significantly intense reflections: 0.0641
• Weighted residual factors for significantly intense reflections: 0.1269
• Weighted residual factors for all reflections included in the refinement: 0.1496
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No