Information card for entry 7012255

Structure parameters

• Formula: C59 H68 N10 O13 Zn4
• Calculated formula: C59 H68 N10 O13 Zn4
• SMILES: [Zn]1234[N](=Cc5c(O3)cccc5)CC[N]13CC[N]15[Zn]6([O]2C2=[O][Zn]789Oc%10ccccc%10C=[N]8CC[N]89CC[N]9%10[Zn]%11(O2)(Oc2c(C=[N]%11CC9)cccc2)[O]7c2c(C8%10)cccc2)(Oc2c(C=[N]6CC5)cccc2)[O]4c2c(C31)cccc2.N#CC.N#CC.O.O.O.O
• Title of publication: Spontaneous carbon dioxide fixation: a µ4-carbonate bridged tetranuclear zinc(ii) complex of a heptadentate Schiff base
• Authors of publication: Fondo, Matilde; García-Deibe, Ana M.; Bermejo, Manuel R.; Sanmartín, Jesús; Llamas-Saiz, Antonio L.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 24
• Pages of publication: 4746
• a: 11.828 ± 0.002 Å
• b: 17.039 ± 0.004 Å
• c: 15.706 ± 0.003 Å
• α: 90°
• β: 109.784 ± 0.004°
• γ: 90°
• Cell volume: 2978.5 ± 1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0668
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1184
• Weighted residual factors for all reflections included in the refinement: 0.132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No