Information card for entry 7039015

Structure parameters

• Formula: C62 H76 N8 O8 Zn2
• Calculated formula: C62 H76 N8 O8 Zn2
• SMILES: c1c(c2c(c(c1C)[N]1=Cc3c(O[Zn]41[N](c1c(cc(c([N]5=Cc6c(cc(N(CC)CC)cc6)O[Zn]65[N]2=Cc2c(O6)cc(N(CC)CC)cc2)c1C)C)C)=Cc1c(O4)cc(N(CC)CC)cc1)cc(N(CC)CC)cc3)C)C.O.O.O.O
• Title of publication: N,N-Diethylamine appended binuclear Zn(ii) complexes: highly selective and sensitive fluorescent chemosensors for picric acid.
• Authors of publication: Kumar, Amit; Kumar, Ashish; Pandey, Daya Shankar
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 20
• Pages of publication: 8475 - 8484
• a: 13.2334 ± 0.0005 Å
• b: 16.7995 ± 0.0006 Å
• c: 15.3797 ± 0.0006 Å
• α: 90°
• β: 103.611 ± 0.002°
• γ: 90°
• Cell volume: 3323.1 ± 0.2 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1196
• Residual factor for significantly intense reflections: 0.0598
• Weighted residual factors for significantly intense reflections: 0.1647
• Weighted residual factors for all reflections included in the refinement: 0.1859
• Goodness-of-fit parameter for all reflections included in the refinement: 0.89
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No