Information card for entry 4341330

Structure parameters

• Formula: C12 H26 Cl3 Cr N6 O7
• Calculated formula: C12 H26 Cl3 Cr N6 O7
• SMILES: C1CC(N)=[O][Cr]234([N]1(O)CCC(=[O]2)N)[N](CCC(N)=[O]4)(CCC(N)=[O]3)O.O.[Cl-].[Cl-].[Cl-]
• Title of publication: Interaction of Chromium(III) with a N,N'-Disubstituted Hydroxylamine-(diamido) Ligand: A Combined Experimental and Theoretical Study.
• Authors of publication: Tziouris, Petros A.; Tsiafoulis, Constantinos G.; Vlasiou, Manolis; Miras, Haralampos N.; Sigalas, Michael P.; Keramidas, Anastasios D.; Kabanos, Themistoklis A.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 21
• Pages of publication: 11404 - 11414
• a: 14.8275 ± 0.0005 Å
• b: 14.8275 ± 0.0005 Å
• c: 10.11 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2222.73 ± 0.12 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 118
• Hermann-Mauguin space group symbol: P -4 n 2
• Hall space group symbol: P -4 -2n
• Residual factor for all reflections: 0.0705
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.13
• Weighted residual factors for all reflections included in the refinement: 0.1433
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No