Information card for entry 7027070

Structure parameters

• Formula: C15 H37 Cl3 Cr N6 O18.5
• Calculated formula: C15 H30 Cl3 Cr N6 O18.5
• Title of publication: Nitrogen versus oxygen co-ordination of carboxamide-functionalized triazacyclononane ligands in transition metal ion complexes
• Authors of publication: Weyhermüller, Thomas; Weighardt, Karl; Chaudhuri, Phalguni
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1998
• Journal issue: 22
• Pages of publication: 3805
• a: 29.058 ± 0.005 Å
• b: 13.68 ± 0.003 Å
• c: 15.286 ± 0.003 Å
• α: 90°
• β: 94.39 ± 0.03°
• γ: 90°
• Cell volume: 6059 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1135
• Residual factor for significantly intense reflections: 0.0738
• Weighted residual factors for all reflections: 0.2378
• Weighted residual factors for significantly intense reflections: 0.1977
• Goodness-of-fit parameter for all reflections: 1.054
• Goodness-of-fit parameter for significantly intense reflections: 1.126
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No