Information card for entry 7105054

Structure parameters

• Formula: C44 H42 Cu2 N10 O20
• Calculated formula: C44 H42 Cu2 N10 O20
• Title of publication: Pyrophosphate selective fluorescent chemosensors based on coumarin-DPA-Cu(II) complexes.
• Authors of publication: Kim, Min Jung; Swamy, K M K; Lee, Kyung Mi; Jagdale, Arun R; Kim, Youngmee; Kim, Sung-Jin; Yoo, Kyung Ho; Yoon, Juyoung
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal issue: 46
• Pages of publication: 7215 - 7217
• a: 8.4488 ± 0.0008 Å
• b: 8.4998 ± 0.0008 Å
• c: 17.5045 ± 0.0016 Å
• α: 83.423 ± 0.002°
• β: 81.649 ± 0.002°
• γ: 79.468 ± 0.002°
• Cell volume: 1217.8 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0794
• Residual factor for significantly intense reflections: 0.0598
• Weighted residual factors for significantly intense reflections: 0.1697
• Weighted residual factors for all reflections included in the refinement: 0.1771
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No