Information card for entry 4301317

Structure parameters

• Formula: C29 H32 N2 O9 Zn2
• Calculated formula: C29 H32 N2 O9 Zn2
• SMILES: [Zn]1234Oc5c(cccc5C=[N]1c1ccccc1[N]3=Cc1cccc3O([Zn]5([O]2c13)([O]=C(O4)C)([OH]C)OC(=[O]5)C)CC)OCC
• Title of publication: Isolation and Structural Characterization of a Binuclear Intermediate Species Pertinent to Transmetalation of Zn(salphen) Complexes and the Formation of Polynuclear Salen Structures
• Authors of publication: Leire San Felices; Eduardo C. Escudero-Adán; Jordi Benet-Buchholz; Arjan W. Kleij
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 846 - 853
• a: 7.7191 ± 0.0005 Å
• b: 13.3739 ± 0.0007 Å
• c: 14.4779 ± 0.0008 Å
• α: 87.326 ± 0.003°
• β: 77.487 ± 0.004°
• γ: 78.697 ± 0.003°
• Cell volume: 1430.8 ± 0.15 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: 0.088
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.1122
• Weighted residual factors for all reflections included in the refinement: 0.1271
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No