Information card for entry 7701105

Structure parameters

• Formula: C12.5 H14 Cl N3 O
• Calculated formula: C12.5 H14 Cl N3 O
• Title of publication: Imidazolyl-phenyl (IMP) anions: a modular structure for tuning solubility and coordinating ability.
• Authors of publication: Wozniak, Derek I.; Hicks, Andrew J.; Sabbers, William A.; Dobereiner, Graham E.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 37
• Pages of publication: 14138 - 14155
• a: 7.9951 ± 0.0013 Å
• b: 14.758 ± 0.002 Å
• c: 21.725 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2563.4 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.1 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0884
• Residual factor for significantly intense reflections: 0.0663
• Weighted residual factors for significantly intense reflections: 0.1396
• Weighted residual factors for all reflections included in the refinement: 0.1469
• Goodness-of-fit parameter for all reflections included in the refinement: 1.197
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No