Information card for entry 2222763

Structure parameters

• Chemical name: <i>catena</i>-Poly[[(ethanol-κ<i>O</i>)[3-(1-phenyl-1<i>H</i>-pyrazol- 3-yl)benzoic acid-κ<i>O</i>]lithium(I)]-μ-3-(1-phenyl-1<i>H</i>-pyrazol-3-yl)benzoato- κ^2^<i>O</i>:<i>O</i>']
• Formula: C34 H29 Li N4 O5
• Calculated formula: C34 H29 Li N4 O5
• SMILES: [Li]([OH]CC)([O]=C(O)c1cc(c2nn(c3ccccc3)cc2)ccc1)OC(c1cc(c2nn(c3ccccc3)cc2)ccc1)=[O][Li]([OH]CC)([O]=C(O)c1cc(c2nn(c3ccccc3)cc2)ccc1)OC(=O)c1cc(c2nn(c3ccccc3)cc2)ccc1
• Title of publication: <i>catena</i>-Poly[[(ethanol-κ<i>O</i>)[3-(1-phenyl-1<i>H</i>-pyrazol-3-yl)benzoic acid-κ<i>O</i>]lithium]-μ-3-(1-phenyl-1<i>H</i>-pyrazol-3-yl)benzoato-κ^2^<i>O</i>:<i>O</i>']
• Authors of publication: Fun, Hoong-Kun; Balasubramani, Kasthuri; Rai, Sankappa; Shetty, Prakash; Isloor, Arun M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: m917 - m918
• a: 7.9607 ± 0.0001 Å
• b: 14.9527 ± 0.0002 Å
• c: 26.532 ± 0.0004 Å
• α: 103.471 ± 0.001°
• β: 90.348 ± 0.001°
• γ: 105.429 ± 0.001°
• Cell volume: 2952.82 ± 0.07 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.1007
• Residual factor for significantly intense reflections: 0.0657
• Weighted residual factors for significantly intense reflections: 0.1511
• Weighted residual factors for all reflections included in the refinement: 0.1676
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes