Information card for entry 2004752

Structure parameters

• Chemical name: bis(dipivaloylmethanido)copper(II) ?
• Formula: C22 H38 Cu O4
• Calculated formula: C22 H38 Cu O4
• SMILES: CC(C)(C)C1=CC(=[O][Cu]2(O1)OC(=CC(=[O]2)C(C)(C)C)C(C)(C)C)C(C)(C)C
• Title of publication: Low-Temperature Structure of Two Copper-Based Precursors for MOCVD: Aquabis(<i>tert</i>-butyl acetoacetato)copper(II) and Bis(dipivaloylmethanido)copper(II)
• Authors of publication: Patnaik, S.; Guru Row, T. N.; Raghunathan, L.; Devi, A.; Goswami, J.; Shivashankar, S. A.; Chandrasekaran, S.; Robinson, W. T.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 4
• Pages of publication: 891 - 894
• a: 10.175 ± 0.002 Å
• b: 10.939 ± 0.002 Å
• c: 11.469 ± 0.002 Å
• α: 90°
• β: 112.06 ± 0.03°
• γ: 90°
• Cell volume: 1183.1 ± 0.5 ų
• Cell temperature: 130 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0778
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for all reflections: 0.1455
• Weighted residual factors for significantly intense reflections: 0.1182
• Goodness-of-fit parameter for all reflections: 0.811
• Goodness-of-fit parameter for significantly intense reflections: 0.787
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No