Information card for entry 7007606

Structure parameters

• Formula: C27 H50 Cl2 Cr N3 O
• Calculated formula: C27 H50 Cl2 Cr N3 O
• SMILES: [Cr]123(Cl)(Cl)Oc4c(cc(cc4C[N]1(CC[N]2(CC)CC)CC[N]3(CC)CC)C(C)(C)C)C(C)(C)C
• Title of publication: Coordination complexes bearing potentially tetradentate phenoxyamine ligands.
• Authors of publication: Cox, Andrew R. F.; Gibson, Vernon C.; Marshall, Edward L.; White, Andrew J. P.; Yeldon, David
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 42
• Pages of publication: 5014 - 5023
• a: 28.367 ± 0.004 Å
• b: 13.2626 ± 0.0018 Å
• c: 16.275 ± 0.002 Å
• α: 90°
• β: 98.509 ± 0.011°
• γ: 90°
• Cell volume: 6055.6 ± 1.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1159
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.0646
• Weighted residual factors for all reflections included in the refinement: 0.0829
• Goodness-of-fit parameter for all reflections included in the refinement: 0.954
• Diffraction radiation wavelength: 1.54248 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No