Information card for entry 2234986

Structure parameters

• Chemical name: Triaqua-1κ<i>O</i>,2κ^2^<i>O</i>-bis(2,2'-bipyridine)- 1κ^2^<i>N</i>,<i>N</i>';2κ^2^<i>N</i>,<i>N</i>'-chlorido-1κ<i>Cl</i>- μ-terephthalato-1:2κ^2^<i>O</i>^1^:<i>O</i>^4^-dicopper(II) nitrate monohydrate
• Formula: C28 H28 Cl Cu2 N5 O11
• Calculated formula: C28 H28 Cl Cu2 N5 O11
• SMILES: c1cccc2c3cccc[n]3[Cu]([n]12)(OC(=O)c1ccc(cc1)C(=O)O[Cu]1(Cl)([n]2c(c3cccc[n]13)cccc2)[OH2])([OH2])[OH2].N(=O)(=O)[O-].O
• Title of publication: Triaqua-1κ<i>O</i>,2κ^2^<i>O</i>-bis(2,2'-bipyridine)-1κ^2^<i>N</i>,<i>N</i>';2κ^2^<i>N</i>,<i>N</i>'-chlorido-1κ<i>Cl</i>-μ-terephthalato-1:2κ^2^<i>O</i>^1^:<i>O</i>^4^-dicopper(II) nitrate monohydrate
• Authors of publication: Liu, Yang; Feng, Yong-Lan; Kuang, Dai-Zhi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: m746 - m747
• a: 10.155 ± 0.002 Å
• b: 11.204 ± 0.002 Å
• c: 15.454 ± 0.003 Å
• α: 76.34 ± 0.03°
• β: 83.61 ± 0.03°
• γ: 64.9 ± 0.03°
• Cell volume: 1547.1 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0843
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.1543
• Weighted residual factors for all reflections included in the refinement: 0.1724
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes