Information card for entry 4331838

Structure parameters

• Common name: Compound JF410
• Formula: C7 H14 Cu N2 O4
• Calculated formula: C7 H14 Cu N2 O4
• SMILES: [Cu]12(OC(=O)O1)[NH2][C@H]1C[C@@H]([NH2]2)CC(O)C1
• 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: 10.104 ± 0.0005 Å
• b: 6.8627 ± 0.0003 Å
• c: 13.8514 ± 0.0008 Å
• α: 90°
• β: 94.673 ± 0.002°
• γ: 90°
• Cell volume: 957.27 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0431
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0913
• Weighted residual factors for all reflections included in the refinement: 0.0952
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No