Information card for entry 2228811

Structure parameters

• Chemical name: <i>catena</i>-Poly[[bis(dimethylammonium) [cadmate(II)-bis(μ-1,1':4',1''-terphenyl-3,3''-dicarboxylato)]] dimethylformamide disolvate]
• Formula: C50 H54 Cd N4 O10
• Calculated formula: C50 H54 Cd N4 O10
• SMILES: [Cd]123([O]=C(O1)c1cc(ccc1)c1ccc(cc1)c1cc(ccc1)C(=O)O[Cd]1[O]=C(O1)c1cc(c4ccc(cc4)c4cc(ccc4)C(=O)O3)ccc1)(OC(=O)c1cc(ccc1)c1ccc(cc1)c1cc(C(=O)[O-])ccc1)[O]=C(O2)c1cc(ccc1)c1ccc(cc1)c1cc(C(=O)[O-])ccc1.N(C=O)(C)C.[NH2+](C)C.N(C=O)(C)C.[NH2+](C)C.N(C=O)(C)C.[NH2+](C)C.N(C=O)(C)C.[NH2+](C)C
• Title of publication: <i>catena</i>-Poly[[bis(dimethylammonium) [cadmate(II)-bis(μ-1,1':4',1''-terphenyl-3,3''-dicarboxylato)]] dimethylformamide disolvate]
• Authors of publication: Park, Sang-Wook; Gu, Ja-Min; Kim, Youngmee; Huh, Seong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 1
• Pages of publication: m71
• a: 28.525 ± 0.004 Å
• b: 9.3267 ± 0.0013 Å
• c: 20.58 ± 0.003 Å
• α: 90°
• β: 114.752 ± 0.002°
• γ: 90°
• Cell volume: 4972.2 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0774
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.11
• Weighted residual factors for all reflections included in the refinement: 0.1164
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes