Information card for entry 7152641

Structure parameters

• Formula: C33 H39 Cl2 N5 O11 Zn
• Calculated formula: C33 H39 Cl2 N5 O11 Zn
• Title of publication: Studies on acedan-based mononuclear zinc complexes toward selective fluorescent probes for pyrophosphate.
• Authors of publication: Rao, Alla Sreenivasa; Singha, Subhankar; Choi, Wonyoung; Ahn, Kyo Han
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2012
• Journal volume: 10
• Journal issue: 42
• Pages of publication: 8410 - 8417
• a: 32.024 ± 0.003 Å
• b: 10.619 ± 0.0009 Å
• c: 21.2363 ± 0.0015 Å
• α: 90°
• β: 90.467 ± 0.003°
• γ: 90°
• Cell volume: 7221.4 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1454
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for significantly intense reflections: 0.1148
• Weighted residual factors for all reflections included in the refinement: 0.1449
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No