Information card for entry 7201461

Structure parameters

• Formula: C18 H42 Cu4 N18 O16
• Calculated formula: C18 H42 Cu4 N18 O16
• Title of publication: Polymerisation of a Cu(II) dimer into 1D chains using high pressure
• Authors of publication: Moggach, Stephen A.; Galloway, Kyle W.; Lennie, Alistair R.; Parois, Pascal; Rowantree, Niall; Brechin, Euan K.; Warren, John E.; Murrie, Mark; Parsons, Simon
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 12
• Pages of publication: 2601
• a: 16.3031 ± 0.0013 Å
• b: 11.9204 ± 0.0005 Å
• c: 17.133 ± 0.0008 Å
• α: 90°
• β: 114.469 ± 0.005°
• γ: 90°
• Cell volume: 3030.6 ± 0.3 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• 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: 0.1113
• Residual factor for significantly intense reflections: 0.0722
• Weighted residual factors for all reflections: 0.0772
• Weighted residual factors for significantly intense reflections: 0.0735
• Weighted residual factors for all reflections included in the refinement: 0.0772
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9864
• Diffraction radiation wavelength: 0.4767 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No