Information card for entry 7038135

Structure parameters

• Formula: C62 H48 N4 O4 Zn2
• Calculated formula: C62 H48 N4 O4 Zn2
• SMILES: c12ccc3ccccc3c2C=[N]2c3c(cc(C)c(c3C)[N]3=Cc4c(O[Zn]53[N](=Cc3c(ccc6ccccc36)O5)c3c(cc(c([N]5[Zn]2(O1)Oc1ccc2ccccc2c1C=5)c3C)C)C)ccc1ccccc41)C
• Title of publication: A highly selective, sensitive and reversible fluorescence chemosensor for Zn(2+) and its cell viability.
• Authors of publication: Saini, Anoop Kumar; Srivastava, Mansi; Sharma, Vinay; Mishra, Veenu; Mobin, Shaikh M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 9
• Pages of publication: 3927 - 3935
• a: 35.3364 ± 0.0006 Å
• b: 35.3364 ± 0.0006 Å
• c: 10.7274 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 11600.3 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0442
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0926
• Weighted residual factors for all reflections included in the refinement: 0.0968
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No