Information card for entry 2013070

Structure parameters

• Common name: CUmof-2
• Chemical name: catena-Poly[[[bis[diaqua(4,4'-bipyridine)cadmium(II)]-bis[μ-(N''- carboxymethyldiethylenetriamine-N,N,N',N''-tetraacetato)cadmium(II)]]- μ-4,4'-bipyridine] tetradecahydrate]
• Formula: C58 H98 Cd4 N12 O38
• Calculated formula: C58 H98 Cd4 N12 O38
• Title of publication: A novel one-dimensional coordination polymer with Cd^2+^ and diethylenetriaminepentaacetic acid
• Authors of publication: Almeida Paz, Filipe A.; Bond, Andrew D.; Khimyak, Yaroslav Z.; Klinowski, Jacek
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 12
• Pages of publication: m608 - m610
• a: 10.2785 ± 0.0002 Å
• b: 12.6674 ± 0.0003 Å
• c: 16.2495 ± 0.0005 Å
• α: 71.693 ± 0.002°
• β: 89.362 ± 0.002°
• γ: 76.317 ± 0.002°
• Cell volume: 1947.05 ± 0.09 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.032
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.07
• Weighted residual factors for all reflections included in the refinement: 0.072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes