Information card for entry 7106334

Structure parameters

• Formula: C49 H49 Cl11 Cu2 N4 O16
• Calculated formula: C49 H46 Cl11 Cu2 N4 O16
• Title of publication: An iminocoumarin-Cu(II) ensemble-based chemodosimeter toward thiols
• Authors of publication: Hyo Sung Jung; Ji Hye Han; Yoichi Habata; Chulhun Kang; Jong Seung Kim
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 5142
• a: 8.2013 ± 0.0016 Å
• b: 9.0211 ± 0.0017 Å
• c: 19.626 ± 0.004 Å
• α: 101.298 ± 0.004°
• β: 92.107 ± 0.004°
• γ: 93.397 ± 0.004°
• Cell volume: 1419.6 ± 0.5 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 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: 0.087
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.1375
• Weighted residual factors for all reflections included in the refinement: 0.1566
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No