Information card for entry 7025562

Structure parameters

• Formula: C40 H57 N3 O2 Zn
• Calculated formula: C40 H57 N3 O2 Zn
• SMILES: c12O[Zn]34([N](=Cc2cccc1C(C)(C)C)c1ccccc1[N]3=Cc1cccc(c1O4)C(C)(C)C)[N](CCCC)(CCCC)CCCC
• Title of publication: Isolation and characterization of a new type of mu-hydroxo-bis-Zn(salphen) assembly.
• Authors of publication: Anselmo, Daniele; Escudero-Adán, Eduardo C; Benet-Buchholz, Jordi; Kleij, Arjan W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 37
• Pages of publication: 8733 - 8740
• a: 17.186 ± 0.0009 Å
• b: 19.056 ± 0.001 Å
• c: 22.1544 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7255.5 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0432
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0903
• Weighted residual factors for all reflections included in the refinement: 0.0926
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No