Information card for entry 7034693

Structure parameters

• Formula: C14 H19 N2 O4 Re
• Calculated formula: C14 H19 N2 O4 Re
• SMILES: n1(c([n+](cc1)C)C(C)C)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: 12.2997 ± 0.0003 Å
• b: 8.3808 ± 0.0002 Å
• c: 16.4451 ± 0.0003 Å
• α: 90°
• β: 111.587 ± 0.001°
• γ: 90°
• Cell volume: 1576.28 ± 0.06 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.026
• Residual factor for significantly intense reflections: 0.0182
• Weighted residual factors for significantly intense reflections: 0.0347
• Weighted residual factors for all reflections included in the refinement: 0.0367
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No