Information card for entry 7106953

Structure parameters

• Formula: C34 H46 Cl2 Cu N6 O6
• Calculated formula: C34 H46 Cl2 Cu N6 O6
• Title of publication: A copper(II) rhodamine complex with a tripodal ligand as a highly selective fluorescence imaging agent for nitric oxide
• Authors of publication: Xiaoyue Hu; Jian Wang; Xiang Zhu; Dapeng Dong; Xiaolin Zhang; Shuo Wu; Chunying Duan
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 11507
• a: 8.3705 ± 0.0006 Å
• b: 12.5806 ± 0.001 Å
• c: 18.647 ± 0.0013 Å
• α: 70.858 ± 0.005°
• β: 88.773 ± 0.005°
• γ: 75.729 ± 0.005°
• Cell volume: 1794 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0937
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.1222
• Weighted residual factors for all reflections included in the refinement: 0.1361
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No