Information card for entry 7019615

Structure parameters

• Common name: [(NO)2zN8(FcCO2)4]
• Formula: C76 H92 Fe4 N4 O16 Zn8
• Calculated formula: C76 H92 Fe4 N4 O16 Zn8
• SMILES: [Zn]1234[O]56[Zn]7([O]=C(O[Zn]895[Zn]56([O]68[Zn]([O]=C(O5)[c]58[Fe]%10%11%12%13%14%15%16([cH]5[cH]%13[cH]%16[cH]8%10)[cH]5[cH]%15[cH]%12[cH]%14[cH]%115)([O]=C(O9)[c]58[Fe]9%10%11%12%13%14%15([cH]([cH]59)[cH]%10[cH]8%11)[cH]5[cH]%12[cH]%13[cH]%15[cH]%145)[O]([Zn]589[O]%10[Zn]6([O]5C(=CC(=[N]9CC[N]8=C(C=C%10C)C)C)C)CC)CC)[O]=C(O7)[c]56[Fe]789%10%11%12%13([cH]([cH]57)[cH]8[cH]69)[cH]5[cH]%11[cH]%12[cH]%13[cH]%105)[c]56[Fe]789%10%11%12%13([cH]5[cH]7[cH]9[cH]68)[cH]5[cH]%10[cH]%11[cH]%13[cH]%125)[O]([Zn]5([O]1C(=CC(=[N]4CC[N]3=C(C=C([O]25)C)C)C)C)CC)CC
• Title of publication: A 1D Schiff base zinc polymer as a versatile metallo-ligand for the synthesis of polynuclear zinc cages.
• Authors of publication: Richards, Anne F.; Aprile, Antonino; Hogan, Conor F.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 27
• Pages of publication: 8361 - 8367
• a: 12.9401 ± 0.0011 Å
• b: 14.8409 ± 0.0013 Å
• c: 25.1129 ± 0.0018 Å
• α: 78.762 ± 0.007°
• β: 85.067 ± 0.007°
• γ: 87.677 ± 0.007°
• Cell volume: 4711.4 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0941
• Residual factor for significantly intense reflections: 0.0627
• Weighted residual factors for significantly intense reflections: 0.1631
• Weighted residual factors for all reflections included in the refinement: 0.1872
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No