Information card for entry 7034692

Structure parameters

• Formula: C13 H17 N2 O4 Re
• Calculated formula: C13 H17 N2 O4 Re
• SMILES: n1(c([n+](cc1)C)CC)Cc1ccccc1.[Re](=O)(=O)(=O)[O-]
• Title of publication: Influence of substituents on cation-anion contacts in imidazolium perrhenates.
• Authors of publication: Reich, Robert M.; Cokoja, Mirza; Markovits, Iulius I. E.; Münchmeyer, Christian J; Kaposi, Marlene; Pöthig, Alexander; Herrmann, Wolfgang A.; Kühn, Fritz E
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 18
• Pages of publication: 8669 - 8677
• a: 11.0896 ± 0.0002 Å
• b: 14.4508 ± 0.0002 Å
• c: 18.4542 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2957.35 ± 0.08 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 5
• 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: 0.0282
• Residual factor for significantly intense reflections: 0.0187
• Weighted residual factors for significantly intense reflections: 0.0366
• Weighted residual factors for all reflections included in the refinement: 0.0395
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No