Information card for entry 2018944

Structure parameters

• Chemical name: <i>catena</i>-Poly[[[dibromidocadmium(II)]-μ~3~-1-[(pyridin-3-yl)methyl]-2-[4-(pyridin-3-yl)phenyl]-1<i>H</i>-benzimidazole] monohydrate]
• Formula: C24 H20 Br2 Cd N4 O
• Calculated formula: C24 H20 Br2 Cd N4 O
• SMILES: [Cd]1(Br)(Br)[n]2c(n(c3c2cccc3)Cc2cccnc2)c2ccc(cc2)c2ccc[n](c2)[Cd]2(Br)(Br)[n]3c(c4ccc(c5ccc[n]1c5)cc4)n(c1c3cccc1)Cc1ccc[n](c1)[Cd]1(Br)(Br)[n]3c(n(c4c3cccc4)Cc3ccc[n]2c3)c2ccc(cc2)c2ccc[n](c2)[Cd](Br)(Br)[n]2c(c3ccc(c4ccc[n]1c4)cc3)n(c1c2cccc1)Cc1cccnc1.O.O.O.O
• Title of publication: Two one-dimensional coordination polymers generated from a new benzimidazole bridging ligand and Cd<i>X</i>~2~ (<i>X</i> = Br and I)
• Authors of publication: Zhang, Yue-Feng; Ma, Jian-Ping; Liu, Qi-Kui; Dong, Yu-Bin
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 5
• Pages of publication: 476 - 479
• a: 9.379 ± 0.002 Å
• b: 10.023 ± 0.002 Å
• c: 13.773 ± 0.003 Å
• α: 101.504 ± 0.003°
• β: 107.424 ± 0.003°
• γ: 99.561 ± 0.003°
• Cell volume: 1174.7 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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: 0.0786
• Residual factor for significantly intense reflections: 0.0624
• Weighted residual factors for significantly intense reflections: 0.1669
• Weighted residual factors for all reflections included in the refinement: 0.1784
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No