Information card for entry 7025563

Structure parameters

• Formula: C73 H99 Cl2 N5 O5 Zn2
• Calculated formula: C73 H99 Cl2 N5 O5 Zn2
• SMILES: c12O[Zn]34([N](=Cc2cccc1C(C)(C)C)c1ccccc1[N]3=Cc1cccc(c1O4)C(C)(C)C)[OH][Zn]123[N](=Cc4c(O1)c(ccc4)C(C)(C)C)c1ccccc1[N]2=Cc1cccc(c1O3)C(C)(C)C.C([N+](CCCC)(CCCC)CCCC)CCC.C(Cl)Cl
• 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: 23.195 ± 0.005 Å
• b: 24.208 ± 0.005 Å
• c: 24.371 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13684 ± 5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1487
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.1118
• Weighted residual factors for all reflections included in the refinement: 0.1241
• Goodness-of-fit parameter for all reflections included in the refinement: 0.831
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No