Information card for entry 7011606

Structure parameters

• Chemical name: [Zn(L)2](ClO4)2 (1)
• Formula: C42 H48 Cl2 N12 O8 Zn
• Calculated formula: C42 H48 Cl2 N12 O8 Zn
• Title of publication: Synthesis, structures and properties of two-dimensional honeycomb and stepwise networks from self-assembly of tripodal ligand 1,3,5-tris(imidazol-1-ylmethyl)-2,4,6-trimethylbenzene with metal saltsElectronic supplementary information (ESI) available: hydrogen bond network indicated by dashed lines in 2 (Fig. S1), coordination environment of Cd2B (minor component) (Fig. S2), FT-IR spectra of anion exchange (Fig. S3) and excitation and emission spectra of 2 (Fig. S4). See http://www.rsc.org/suppdata/dt/b2/b202138b/
• Authors of publication: Fan, Jian; Sui, Bin; Okamura, Taka-aki; Sun, Wei-Yin; Tang, Wen-Xia; Ueyama, Norikazu
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 20
• Pages of publication: 3868
• a: 13.5818 ± 0.0008 Å
• b: 13.5818 ± 0.0008 Å
• c: 13.5818 ± 0.0008 Å
• α: 46.194 ± 0.002°
• β: 46.194 ± 0.002°
• γ: 46.194 ± 0.002°
• Cell volume: 1190.71 ± 0.13 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :R
• Hall space group symbol: -P 3*
• Residual factor for all reflections: 0.0818
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1071
• Weighted residual factors for all reflections included in the refinement: 0.1126
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No