Information card for entry 7025458

Structure parameters

• Formula: C46 H32 N4 O10 Zn2
• Calculated formula: C46 H32 N4 O10 Zn2
• SMILES: [Zn]123([O]4[Zn]56([O]1c1c(c7oc8c([n]67)cccc8)cc(cc1c1oc6c([n]31)cccc6)C)([O]=C(O5)C)[n]1c(oc3c1cccc3)c1c4c(c3oc4c([n]23)cccc4)cc(c1)C)OC(=O)C
• Title of publication: A fluorescent bis(benzoxazole) ligand: toward binuclear Zn(II)-Zn(II) assembly.
• Authors of publication: Chu, Qinghui; Medvetz, Doug A.; Panzner, Matthew J.; Pang, Yi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 22
• Pages of publication: 5254 - 5259
• a: 11.791 ± 0.003 Å
• b: 13.602 ± 0.004 Å
• c: 16.333 ± 0.005 Å
• α: 111.534 ± 0.004°
• β: 91.172 ± 0.005°
• γ: 110.638 ± 0.004°
• Cell volume: 2246.3 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0463
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0907
• Weighted residual factors for all reflections included in the refinement: 0.0939
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No