Information card for entry 7024540

Structure parameters

• Formula: C12 H38 Cl2 Cu2 N4 O12
• Calculated formula: C12 H34 Cl2 Cu2 N4 O12
• Title of publication: High pressure studies of hydroxo-bridged Cu(II) dimers.
• Authors of publication: Prescimone, Alessandro; Sanchez-Benitez, Javier; Kamenev, Konstantin K.; Moggach, Stephen A.; Warren, John E.; Lennie, Alistair R.; Murrie, Mark; Parsons, Simon; Brechin, Euan K.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 1
• Pages of publication: 113 - 123
• a: 7.6403 ± 0.0003 Å
• b: 14.7724 ± 0.0004 Å
• c: 11.1904 ± 0.0004 Å
• α: 90°
• β: 107.386 ± 0.003°
• γ: 90°
• Cell volume: 1205.31 ± 0.07 ų
• Cell temperature: 300 K
• Ambient diffraction temperature: 300 K
• Ambient diffracton pressure: 700000 kPa
• 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: 0.1139
• Residual factor for significantly intense reflections: 0.0829
• Weighted residual factors for all reflections: 0.1193
• Weighted residual factors for significantly intense reflections: 0.0985
• Weighted residual factors for all reflections included in the refinement: 0.0985
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1092
• Diffraction radiation wavelength: 0.4869 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No