Information card for entry 7006465

Structure parameters

• Formula: C16 H44 Cl3 Cr N4 O18
• Calculated formula: C16 H32 Cl3 Cr N4 O18
• SMILES: [Cr]123([NH]4CC[NH]2[C@@H](CC(C)(C)[NH]1CC[NH]3[C@H](CC4(C)C)C)C)([OH2])[OH2].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O.O.O.O
• Title of publication: Ligand effect on the kinetics of hydroperoxochromium(III)-oxochromium(V) transformation and the lifetime of chromium(V).
• Authors of publication: Lemma, Kelemu; Ellern, Arkady; Bakac, Andreja
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 1
• Pages of publication: 58 - 63
• a: 8.7575 ± 0.0015 Å
• b: 20.964 ± 0.004 Å
• c: 17.009 ± 0.003 Å
• α: 90°
• β: 99.195 ± 0.003°
• γ: 90°
• Cell volume: 3082.6 ± 1 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.1185
• Residual factor for significantly intense reflections: 0.0947
• Weighted residual factors for significantly intense reflections: 0.262
• Weighted residual factors for all reflections included in the refinement: 0.2798
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No