Information card for entry 4121579

Structure parameters

• Formula: C23 H20 Cl2 N4 Zn
• Calculated formula: C23 H20 Cl2 N4 Zn
• SMILES: c1(c2ccc(N(C)C)cc2)cc2[n]3[Zn]([n]4ccccc4c3c1)([n]1ccccc21)(Cl)Cl
• Title of publication: Nanomolar Pyrophosphate Detection in Water and in a Self-Assembled Hydrogel of a Simple Terpyridine-Zn(2+) Complex.
• Authors of publication: Bhowmik, Sandip; Ghosh, Biswa Nath; Marjomäki, Varpu; Rissanen, Kari
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 15
• Pages of publication: 5543
• a: 11.6964 ± 0.0003 Å
• b: 15.8328 ± 0.0004 Å
• c: 11.522 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2133.72 ± 0.09 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0355
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.069
• Weighted residual factors for all reflections included in the refinement: 0.0727
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No