Information card for entry 7011608

Structure parameters

• Chemical name: [Cd3(L)2(SO4)4(H2O)2(CH3CH2OH)2][Cd(H2O)6]× 2H2O (3)
• Formula: C46 H70 Cd4 N12 O28 S4
• Calculated formula: C46 H50 Cd4 N12 O28 S4
• 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 salts
• 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 - 3873
• a: 12.3739 ± 0.0013 Å
• b: 14.5578 ± 0.0015 Å
• c: 10.186 ± 0.001 Å
• α: 95.632 ± 0.003°
• β: 110.726 ± 0.007°
• γ: 69.367 ± 0.003°
• Cell volume: 1605.3 ± 0.3 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.06
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1441
• Weighted residual factors for all reflections included in the refinement: 0.1492
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No