Information card for entry 7005880

Structure parameters

• Common name: 5,free ligand
• Formula: C74 H105 N9 O4
• Calculated formula: C70 H97 N9 O3
• SMILES: C(c1cc(cc(c1OCCN1CCN(CC1)Cc1ncccc1)C)C(C)(C)C)(c1cc(cc(c1OCCN1CCN(CC1)Cc1ncccc1)C)C(C)(C)C)c1cc(cc(c1OCCN1CCN(CC1)Cc1ncccc1)C)C(C)(C)C
• Title of publication: Synthesis and reactivity of a C3-symmetric trinuclear zinc(II) hydroxide catalyst efficient at phosphate diester transesterification.
• Authors of publication: Mitra, Ranjan; Peters, Matthew W.; Scott, Michael J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 35
• Pages of publication: 3924 - 3935
• a: 16.7988 ± 0.0005 Å
• b: 16.7988 ± 0.0005 Å
• c: 102.377 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 25020.1 ± 1.4 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.1716
• Residual factor for significantly intense reflections: 0.0805
• Weighted residual factors for significantly intense reflections: 0.2202
• Weighted residual factors for all reflections included in the refinement: 0.263
• Goodness-of-fit parameter for all reflections included in the refinement: 0.974
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No