Information card for entry 7017749

Structure parameters

• Formula: C48 H56 N6 O12 Zn3
• Calculated formula: C48 H56 N6 O12 Zn3
• SMILES: c12c3cc(cc1C=[N]([Zn]1456[O]2[Zn]27([N](=C3)CCO)[N](=Cc3c(O2)c(C=O)cc(c3)C)CC[O]6[Zn]23([N](=Cc6c(c(cc(c6)C)C=[N]4CCO)[O]53)CCO)[N](=Cc3c(O2)c(cc(c3)C)C=O)CC[O]17)CCO)C
• Title of publication: Coordination induced fluorescence enhancement and construction of a Zn(3) constellation through hydrolysis of ligand imine arms.
• Authors of publication: Sarkar, Avijit; Ghosh, Aloke Kumar; Bertolasi, Valerio; Ray, Debashis
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 6
• Pages of publication: 1889 - 1896
• a: 13.956 ± 0.002 Å
• b: 23.659 ± 0.004 Å
• c: 15.888 ± 0.003 Å
• α: 90°
• β: 107.112 ± 0.01°
• γ: 90°
• Cell volume: 5013.7 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1173
• Residual factor for significantly intense reflections: 0.071
• Weighted residual factors for significantly intense reflections: 0.1301
• Weighted residual factors for all reflections included in the refinement: 0.1457
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No