Information card for entry 2200405

Structure parameters

• Common name: Nitrato(1,4,7-trimethyl-1,4,7-triazacyclononane)copper(II) perchlorate
• Chemical name: Nitrato(1,4,7-trimethyl-1,4,7-triazacyclononane)copper(II) perchlorate
• Formula: C9 H21 Cl Cu N4 O7
• Calculated formula: C9 H21 Cl Cu N4 O7
• SMILES: [Cu]123([N]4(CC[N]2(CC[N]1(CC4)C)C)C)ON(=[O]3)=O.Cl(=O)(=O)(=O)[O-]
• Title of publication: Nitrato(1,4,7-trimethyl-1,4,7-triazacyclononane)copper(II) perchlorate
• Authors of publication: Batten, Stuart R.; Spiccia, Leone; Templar, Claire E.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 7
• Pages of publication: m265 - m266
• a: 8.5512 ± 0.0001 Å
• b: 11.8172 ± 0.0001 Å
• c: 15.0854 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1524.4 ± 0.03 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0414
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for all reflections included in the refinement: 0.0917
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No