Information card for entry 2230836

Structure parameters

• Chemical name: Bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')bis(1<i>H</i>-indole-2- carboxylato-κ^2^<i>O</i>,<i>O</i>')cadmium–2,2'-bipyridine–water (1/0.5/2)
• Formula: C86 H72 Cd2 N14 O12
• Calculated formula: C86 H72 Cd2 N14 O12
• SMILES: c1cccc2c3[n]([Cd]45([n]12)([n]1ccccc1c1[n]4cccc1)(OC(=O)c1[nH]c2c(c1)cccc2)[O]=C(O5)c1[nH]c2c(c1)cccc2)cccc3.n1ccccc1c1ncccc1.O.O.c1cccc2c3cccc[n]3[Cd]34([n]12)([n]1ccccc1c1[n]3cccc1)(OC(=O)c1[nH]c2c(c1)cccc2)[O]=C(O4)c1[nH]c2c(c1)cccc2.O.O
• Title of publication: Bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')bis(1<i>H</i>-indole-2-carboxylato-κ^2^<i>O</i>,<i>O</i>')cadmium–2,2'-bipyridine–water (1/0.5/2)
• Authors of publication: Li, Yun-Xia; Zhang, Bi-Song; Zheng, Miao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: m879 - m880
• a: 11.513 ± 0.002 Å
• b: 12.945 ± 0.003 Å
• c: 14.302 ± 0.003 Å
• α: 114.95 ± 0.03°
• β: 94.27 ± 0.03°
• γ: 93.84 ± 0.03°
• Cell volume: 1915.8 ± 0.9 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 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: 0.0964
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.0678
• Weighted residual factors for all reflections included in the refinement: 0.1057
• Goodness-of-fit parameter for all reflections included in the refinement: 1.17
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes