Information card for entry 7239473

Structure parameters

• Formula: C15 H29 Cl2 Cu N5 O4
• Calculated formula: C15 H29 Cl2 Cu N5 O4
• Title of publication: One-pot synthesis, characterisation and kinetic stability of novel side-bridged pentaazamacrocyclic copper(ii) complexes
• Authors of publication: Betts, Helen M.; Pascu, Sofia I.; Buchard, Antoine; Bonnitcha, Paul D.; Dilworth, Jonathan R.
• Journal of publication: RSC Advances
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 25
• Pages of publication: 12964
• a: 11.9964 ± 0.0008 Å
• b: 15.825 ± 0.0011 Å
• c: 21.4986 ± 0.0015 Å
• α: 90°
• β: 91.78 ± 0.001°
• γ: 90°
• Cell volume: 4079.4 ± 0.5 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0902
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for all reflections: 0.0762
• Weighted residual factors for significantly intense reflections: 0.0497
• Weighted residual factors for all reflections included in the refinement: 0.0497
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1331
• Diffraction radiation wavelength: 0.6709 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No