Information card for entry 7106742

Structure parameters

• Formula: C38 H39 Cl3.88 N5 O4 Pd1.94
• Calculated formula: C38 H39 Cl3.882 N5 O4 Pd1.941
• Title of publication: A new rhodamine based colorimetric 'off-on' fluorescence sensor selective for Pd2+ along with the first bound X-ray crystal structure
• Authors of publication: Shyamaprosad Goswami; Debabrata Sen; Nirmal Kumar Das; Hoong-Kun Fun; Ching Kheng Quah
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 9101
• a: 21.8033 ± 0.0004 Å
• b: 16.4269 ± 0.0003 Å
• c: 22.7565 ± 0.0005 Å
• α: 90°
• β: 103.155 ± 0.001°
• γ: 90°
• Cell volume: 7936.6 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.1956
• Residual factor for significantly intense reflections: 0.1176
• Weighted residual factors for significantly intense reflections: 0.2851
• Weighted residual factors for all reflections included in the refinement: 0.3417
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No