Information card for entry 7008146

Structure parameters

• Common name: bis-(copper(ii)-1-benzyl-4-propylamino-1,4,7- triazacyclononane) tetraperchlorate pentahydrate
• Formula: C32 H56 Cl4 Cu2 N8 O21
• Calculated formula: C32 H56 Cl4 Cu2 N8 O21
• 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: 20.7191 ± 0.0005 Å
• b: 16.1383 ± 0.0004 Å
• c: 14.7336 ± 0.0003 Å
• α: 90°
• β: 106.19 ± 0.03°
• γ: 90°
• Cell volume: 4731.1 ± 0.7 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1182
• Residual factor for significantly intense reflections: 0.0737
• Weighted residual factors for significantly intense reflections: 0.1562
• Weighted residual factors for all reflections included in the refinement: 0.1706
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No