Information card for entry 7033227

Structure parameters

• Formula: C58 H38 Cd2 N10 O12
• Calculated formula: C58 H38 Cd2 N10 O12
• SMILES: c12c3cccc[n]3[Cd]3456([O]7=N(=O)O[Cd]89%107([O]4=N(=O)O5)([n]4c(c5cc(cc(c7cccc[n]97)[n]85)c5c7c(cccc7)cc7c5cccc7)cccc4)ON(=O)=[O]%10)([n]2c(cc(c1)c1c2c(cccc2)cc2c1cccc2)c1cccc[n]31)ON(=O)=[O]6
• Title of publication: Cd(II)-terpyridine-based complex as a ratiometric fluorescent probe for pyrophosphate detection in solution and as an imaging agent in living cells.
• Authors of publication: Jiao, Shu-Yan; Li, Kun; Zhang, Wei; Liu, Yan-Hong; Huang, Zeng; Yu, Xiao-Qi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 3
• Pages of publication: 1358 - 1365
• a: 9.3678 ± 0.0005 Å
• b: 11.1675 ± 0.0006 Å
• c: 13.9177 ± 0.0007 Å
• α: 70.867 ± 0.005°
• β: 83.835 ± 0.004°
• γ: 69.788 ± 0.005°
• Cell volume: 1290.84 ± 0.13 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.0461
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.1135
• Weighted residual factors for all reflections included in the refinement: 0.1155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No