Information card for entry 7019511

Structure parameters

• Common name: 11190
• Formula: C73 H77 N4 O4 P Zn
• Calculated formula: C73 H77 N4 O4 P Zn
• SMILES: [Zn]123N4CC[N]51CCN2C(=O)c1ccc(cc1)CCCCc1cc(cc(C=CCCc2ccc(C(=O)N3CC5)cc2)c1)CCCCc1ccc(cc1)C4=O.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.O1CCCC1
• Title of publication: Encapsulating zinc(ii) within a hydrophobic cavity.
• Authors of publication: Miller, Deanna L.; Lu, Connie C.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 25
• Pages of publication: 7464 - 7466
• a: 13.1597 ± 0.0008 Å
• b: 34.881 ± 0.002 Å
• c: 14.5029 ± 0.0009 Å
• α: 90°
• β: 92.819 ± 0.001°
• γ: 90°
• Cell volume: 6649.1 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0857
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.1247
• Weighted residual factors for all reflections included in the refinement: 0.1371
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No