Information card for entry 7008147

Structure parameters

• Common name: Copper(ii)-1-formyl-4-acetato-1,4,7-triazacyclononane perchlorate
• Formula: C9 H16 Cl Cu N3 O7
• Calculated formula: C9 H16 Cl Cu N3 O7
• Title of publication: The synthesis, structure and properties of copper(II) complexes of asymmetrically functionalized derivatives of 1,4,7-triazacyclononane.
• Authors of publication: Warden, Andrew C.; Spiccia, Leone; Hearn, Milton T. W.; Boas, John F.; Pilbrow, John R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 10
• Pages of publication: 1804 - 1813
• a: 19.301 ± 0.004 Å
• b: 8.0755 ± 0.0016 Å
• c: 8.7552 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1364.6 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0328
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.0698
• Weighted residual factors for all reflections included in the refinement: 0.0718
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No