Information card for entry 7023273

Structure parameters

• Formula: C24 H48 Br12 O12 Zn6
• Calculated formula: C24 H48 Br12 O12 Zn6
• SMILES: C1[O]2CC[O]3CCOCC[O]4CC[O]([Zn]234Br)CC[O](C1)[Zn](Br)(Br)[Br][Zn]1(Br)[Br][Zn]([Br][Zn]([O]2CC[O]3CC[O]4CCOCC[O]5CC[O](CC2)[Zn]345Br)(Br)Br)(Br)[Br]1
• Title of publication: The chain-like polynuclear coordination compounds (ZnBr2)n(18-crown-6)2 (n = 4, 6, 8, 10) and [Zn5Br9][N(Tf2)].
• Authors of publication: Hausmann, David; Feldmann, Claus
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 37
• Pages of publication: 13487 - 13494
• a: 8.1203 ± 0.0016 Å
• b: 10.887 ± 0.002 Å
• c: 14.851 ± 0.003 Å
• α: 79.16 ± 0.03°
• β: 74.99 ± 0.03°
• γ: 79.78 ± 0.03°
• Cell volume: 1234 ± 0.5 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0604
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0817
• Weighted residual factors for all reflections included in the refinement: 0.0895
• Goodness-of-fit parameter for all reflections included in the refinement: 0.923
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No