Information card for entry 7210592

Structure parameters

• Common name: complex2
• Formula: C44 H54 N6 O20 Zn4
• Calculated formula: C44 H54 N6 O20 Zn4
• SMILES: c12c3cccc1C=[N]1NC(=[O][Zn]451[O]2[Zn]1([O]=C(O5)C)([O]2c5c6c(ccc5)C=[N]5NC(c7ccc(O)cc7)=[O][Zn]785[O]6[Zn]2([O]31)([O]=C(O8)C)OC(=[O]7)C)OC(=[O]4)C)c1ccc(O)cc1.N(C=O)(C)C.CO.N(C=O)(C)C.CO
• Title of publication: Synthesis, crystal structures and luminescent properties of tetranuclear Zn molecular clusters with aroylhydrazone ligand
• Authors of publication: Tang, Bei-bei; Ma, Heng; Li, Guan-zheng; Wang, Yue-bing; Anwar, Gulinazi; Shi, Rufei; Li, Hui
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 40
• Pages of publication: 8069
• a: 10.508 ± 0.002 Å
• b: 10.684 ± 0.002 Å
• c: 12.276 ± 0.003 Å
• α: 112.1 ± 0.03°
• β: 104.75 ± 0.03°
• γ: 90.29 ± 0.03°
• Cell volume: 1227 ± 0.6 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.0351
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for significantly intense reflections: 0.063
• Weighted residual factors for all reflections included in the refinement: 0.0657
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No