Information card for entry 4326457

Structure parameters

• Formula: C42 H24 Cd4 Cl0 N20 O32
• Calculated formula: C42 H24 Cd4 N20 O32
• SMILES: c12cccc[n]2[Cd]234([n]5c(c6c7c8cccc[n]8[Cd]89%10%11([n]7c7c(c%12[n]3c1c1c3cccc[n]3[Cd]3%13%14([n]%15c(c%16c(c%17[n]8cccc%17)[n]9c7c(c%12[n]1%13)[n]3%16)cccc%15)([OH2])(ON(=O)=O)ON(=[O]%14)=O)[n]26)(ON(=[O]%10)=O)ON(=[O]%11)=O)cccc5)([OH2])(ON(=O)=O)ON(=[O]4)=O.[OH2][Cd]([OH2])(ON(=O)=O)([OH2])([OH2])ON(=O)=O.O.O
• Title of publication: A Highly Selective On/Off Fluorescence Sensor for Cadmium(II)
• Authors of publication: Qiang Zhao; Rui-Fang Li; Sheng-Kai Xing; Xiu-Ming Liu; Tong-Liang Hu; Xian-He Bu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 10041 - 10046
• a: 22.675 ± 0.005 Å
• b: 15.86 ± 0.003 Å
• c: 18.331 ± 0.004 Å
• α: 90°
• β: 110.86 ± 0.03°
• γ: 90°
• Cell volume: 6160 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0759
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.125
• Weighted residual factors for all reflections included in the refinement: 0.1354
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No