Information card for entry 8101939

Structure parameters

• Chemical name: catena-[(μ~3~-benzene-1,3,5-tricarboxylato)(μ~2~-benzene-1,3,5- tricarboxylato)-dodecaaqua-tricopper(ii)]
• Formula: C18 H30 Cu3 O24
• Calculated formula: C18 H30 Cu3 O24
• Title of publication: Crystal structure of catena-[dodecaaqua(μ^3^-benzene-1,3,5- tricarboxylato)(μ^2^-benzene-1,3,5-tricarboxylato)-tricopper (II)], Cu~3~(H~2~O)~12~(C~9~H~3~O~6~)~2~
• Authors of publication: Zhang, Q.-W.; Wang, G.-X.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2006
• Journal volume: 221
• Journal issue: 1
• Pages of publication: 101 - 102
• a: 17.412 ± 0.002 Å
• b: 12.913 ± 0.003 Å
• c: 6.5669 ± 0.0001 Å
• α: 90°
• β: 111.934 ± 0.018°
• γ: 90°
• Cell volume: 1369.6 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0786
• Weighted residual factors for all reflections included in the refinement: 0.0826
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No