Information card for entry 2020330

Structure parameters

• Chemical name: Tribromido[μ-<i>N</i>,<i>N</i>,<i>N</i>'-tris(pyridin-2-ylmethyl)ethylenediamine-<i>N</i>'-acetato]dizinc(II)
• Formula: C22 H24 Br3 N5 O2 Zn2
• Calculated formula: C22 H24 Br3 N5 O2 Zn2
• SMILES: [Zn]12345[n]6ccccc6C[N]3(Cc3[n]1cccc3)CC[N]4(Cc1[n]2cccc1)CC(O5)=[O][Zn](Br)(Br)Br
• Title of publication: A coordinatively flexible hexadentate ligand gives structurally isomeric complexes <i>M</i>~2~(<i>L</i>)<i>X</i>~3~ (<i>M</i> = Cu, Zn; <i>X</i> = Br, Cl)
• Authors of publication: Wegeberg, Christina; McKee, Vickie; McKenzie, Christine J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 1
• Pages of publication: 68 - 74
• a: 18.7061 ± 0.0012 Å
• b: 13.3342 ± 0.0009 Å
• c: 20.4516 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5101.3 ± 0.6 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.074
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0691
• Weighted residual factors for all reflections included in the refinement: 0.0779
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes