Information card for entry 7201460

Structure parameters

• Formula: C9 H21 Cu2 N9 O8
• Calculated formula: C9 H21 Cu2 N9 O8
• 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: 15.0833 ± 0.0011 Å
• b: 12.1396 ± 0.0003 Å
• c: 8.7075 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1594.39 ± 0.13 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• 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: 0.0876
• Residual factor for significantly intense reflections: 0.0751
• Weighted residual factors for all reflections: 0.092
• Weighted residual factors for significantly intense reflections: 0.091
• Weighted residual factors for all reflections included in the refinement: 0.092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0004
• Diffraction radiation wavelength: 0.4767 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No