Information card for entry 4311330

Structure parameters

• Formula: C66 H80 Cl6 N6 O2 Zn3
• Calculated formula: C66 H78 Cl6 N6 O2 Zn3
• SMILES: [Zn]1(Cl)([n]2c(CCc3c(c(c(c(c3CC)CCc3[n](cccc3)[Zn](Cl)(Cl)[n]3c(CCc4c(c(c(c(c4CC)CCc4ncccc4)CC)CCc4[n]([Zn](Cl)(Cl)[n]5c(CCc6c(c(c(c(c6CC)CCc6ncccc6)CC)CCc6[n]([Zn]([n]7c(CCc8c(c(c(c(c8CC)CCc8[n]1cccc8)CC)CCc1[n]([Zn](Cl)Cl)cccc1)CC)cccc7)(Cl)Cl)cccc6)CC)cccc5)cccc4)CC)cccc3)CC)CCc1[n]([Zn](Cl)Cl)cccc1)CC)cccc2)Cl.O.O.O.O
• Title of publication: Supramolecular and Coordination Polymer Complexes Supported by a Tripodal Tripyridine Ligand Containing a 1,3,5-Triethylbenzene Spacer
• Authors of publication: Hiromi Ohi; Yoshimitsu Tachi; Shinobu Itoh
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 4561 - 4563
• a: 19.541 ± 0.008 Å
• b: 9.38 ± 0.004 Å
• c: 22.99 ± 0.009 Å
• α: 90°
• β: 112.74 ± 0.02°
• γ: 90°
• Cell volume: 3886 ± 3 ų
• Cell temperature: 161.1 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for significantly intense reflections: 0.068
• Weighted residual factors for all reflections included in the refinement: 0.094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No