Information card for entry 7052344

Structure parameters

• Formula: C12 H33 Cl2 N4 O10 Re
• Calculated formula: C12 H32 Cl2 N4 O10 Re
• SMILES: [NH2]1[Re]2([NH2]CC[N]2(CC)CC)([N](CC1)(CC)CC)(=O)=O.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: ReO<small>₂</small><small>⁺</small> chelates with aliphatic diamines. Structural and proton transfer properties
• Authors of publication: Jorge S. Gancheff; Carlos Kremer; Oscar N. Ventura; Sixto Domínguez; Carla Bazzicalupi; Antonio Bianchi; Leopoldo Suescun; Alvaro W. Mombrú
• Journal of publication: New Journal of Chemistry
• Year of publication: 2006
• Journal volume: 30
• Journal issue: 11
• Pages of publication: 1650
• a: 8.513 ± 0.005 Å
• b: 15.322 ± 0.005 Å
• c: 16.926 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2207.8 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0782
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.0834
• Weighted residual factors for all reflections included in the refinement: 0.0965
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No