Information card for entry 4506517

Structure parameters

• Chemical name: cis aquabis(L-isoleucinato-N,O)copper(II)
• Formula: C12 H26 Cu N2 O5
• Calculated formula: C12 H26 Cu N2 O5
• Title of publication: Modeling Triple Conformational Disorder in a New Crystal Polymorph ofcis-Aquabis(l-isoleucinato)copper(II)
• Authors of publication: Marković, Marijana; Milić, Dalibor; Sabolović, Jasmina
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 8
• Pages of publication: 4116
• a: 22.5755 ± 0.0005 Å
• b: 9.44266 ± 0.00017 Å
• c: 7.46733 ± 0.00015 Å
• α: 90°
• β: 106.25 ± 0.002°
• γ: 90°
• Cell volume: 1528.24 ± 0.06 ų
• Cell temperature: 120 ± 1 K
• Ambient diffraction temperature: 120 ± 1 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.033
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0717
• Weighted residual factors for all reflections included in the refinement: 0.0738
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No