Information card for entry 7052343

Structure parameters

• Formula: C12 H36 I N4 O4 Re
• Calculated formula: C12 H32 I N4 O4 Re
• SMILES: C1C[NH](CC)[Re]2([NH]1CC)(=O)([NH](CC[NH]2CC)CC)=O.[I-].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: 13.8941 ± 0.0017 Å
• b: 19.078 ± 0.004 Å
• c: 10.2235 ± 0.0014 Å
• α: 90°
• β: 128.293 ± 0.005°
• γ: 90°
• Cell volume: 2126.9 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0554
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.126
• Weighted residual factors for all reflections included in the refinement: 0.1335
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No