Information card for entry 7008854

Structure parameters

• Formula: C108 H130 N22 O32 Zn2
• Calculated formula: C108 H130 N22 O32 Zn2
• SMILES: [n]1(ccc(cc1)/C=C/c1cc[n](cc1)[Zn]([OH2])([OH2])([OH2])([n]1ccc(cc1)/C=C/c1ccncc1)[n]1ccc(cc1)/C=C/c1ccncc1)[Zn]([OH2])([OH2])([OH2])([n]1ccc(cc1)/C=C/c1ccncc1)[n]1ccc(/C=C/c2ccncc2)cc1.n1ccc(cc1)/C=C/c1ccncc1.n1ccc(cc1)/C=C/c1ccncc1.N(=O)(=O)[O-].N(=O)(=O)[O-].c1cc(ccn1)/C=C/c1ccncc1.O.O.O.O.O.O.O.N(=O)(=O)[O-].N(=O)(=O)[O-].c1cc(ccn1)/C=C/c1ccncc1.O.O.O.O.O.O.O
• Title of publication: Construction of an interpenetrated 3-D network by [2 + 2] cycloaddition of Zn(ClO4)2 and 1,2-trans-(4-pyridyl)ethene: counter anion effects
• Authors of publication: Yong Lee, Jun; Jin Hong, Sung; Kim, Cheal; Kim, Youngmee
• Journal of publication: Dalton Transactions
• Year of publication: 2005
• Journal issue: 23
• Pages of publication: 3716
• a: 10.4958 ± 0.0015 Å
• b: 15.296 ± 0.002 Å
• c: 19.225 ± 0.003 Å
• α: 104.723 ± 0.002°
• β: 92.725 ± 0.002°
• γ: 98.389 ± 0.002°
• Cell volume: 2941.6 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0912
• Residual factor for significantly intense reflections: 0.0596
• Weighted residual factors for significantly intense reflections: 0.1636
• Weighted residual factors for all reflections included in the refinement: 0.1772
• Goodness-of-fit parameter for all reflections included in the refinement: 0.945
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No