Information card for entry 2232162

Structure parameters

• Chemical name: <i>catena</i>-Poly[[[bis(4-bromobenzoato-κ<i>O</i>)zinc]-μ- 1,2-bis(4-pyridyl)ethene-κ^2^<i>N</i>:<i>N</i>'] acetonitrile monosolvate]
• Formula: C28 H21 Br2 N3 O4 Zn
• Calculated formula: C28 H21 Br2 N3 O4 Zn
• SMILES: [Zn](OC(=O)c1ccc(Br)cc1)(OC(=O)c1ccc(Br)cc1)[n]1ccc(cc1)/C=C/c1cc[n](cc1)[Zn]([n]1ccc(cc1)/C=C/c1ccncc1)(OC(=O)c1ccc(Br)cc1)OC(=O)c1ccc(Br)cc1.CC#N.CC#N
• Title of publication: <i>catena</i>-Poly[[[bis(4-bromobenzoato-κ<i>O</i>)zinc]-μ-1,2-bis(4-pyridyl)ethene-κ^2^<i>N</i>:<i>N</i>'] acetonitrile monosolvate]
• Authors of publication: Li, Ni-Ya; Sun, Deng-Ming
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 11
• Pages of publication: m1553
• a: 6.2738 ± 0.0013 Å
• b: 11.852 ± 0.002 Å
• c: 19.496 ± 0.004 Å
• α: 105.25 ± 0.03°
• β: 94.63 ± 0.03°
• γ: 99.87 ± 0.03°
• Cell volume: 1365.8 ± 0.5 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.0997
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.0948
• Weighted residual factors for all reflections included in the refinement: 0.1097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes