Information card for entry 4331832

Structure parameters

• Common name: Compound JF268br
• Formula: C12 H28 Cl2 Cu N4 O10
• Calculated formula: C12 H28 Cl2 Cu N4 O10
• SMILES: Cl(=O)(=O)(=O)[O-].[Cu]12([NH2][C@H]3C[C@H](CC(O)C3)[NH2]1)[NH2][C@@H]1C[C@@H](CC(O)C1)[NH2]2.Cl(=O)(=O)(=O)[O-]
• Title of publication: Controlling Aggregation of Copper(II)-Based Coordination Compounds: From Mononuclear to Dinuclear, Tetranuclear, and Polymeric Copper Complexes
• Authors of publication: Fielden, John; Sprott, Joanna; Long, De-Liang; Kögerler, Paul; Cronin, Leroy
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 7
• Pages of publication: 2886 - 2895
• a: 6.9536 ± 0.0002 Å
• b: 8.1129 ± 0.0003 Å
• c: 9.6905 ± 0.0003 Å
• α: 105.394 ± 0.002°
• β: 108.615 ± 0.002°
• γ: 99.232 ± 0.001°
• Cell volume: 481.17 ± 0.03 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0271
• Residual factor for significantly intense reflections: 0.0245
• Weighted residual factors for significantly intense reflections: 0.0598
• Weighted residual factors for all reflections included in the refinement: 0.0611
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No