Information card for entry 7023275

Structure parameters

• Formula: C24 H48 Br20 O12 Zn10
• Calculated formula: C24 H48 Br20 O12 Zn10
• SMILES: C1C[O]2CC[O]3CC[O]4CC[O]5CC[O]6CC[O]1[Zn]123([Br][Zn]456Br)[Br][Zn]23([Br]1)[Br][Zn]3([Br]2)(Br)[Br][Zn]1(Br)[Br][Zn]([Br][Zn]23([Br][Zn]43([Br][Zn]356([O]7CC[O]8CC[O]9CC[O](CC[O]5CC[O]3CC7)[Zn]89(Br)[Br]6)[Br]4)[Br]2)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: 7.4651 ± 0.0015 Å
• b: 12.263 ± 0.003 Å
• c: 17.91 ± 0.004 Å
• α: 101.09 ± 0.03°
• β: 93.9 ± 0.03°
• γ: 90.42 ± 0.03°
• Cell volume: 1604.9 ± 0.6 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: 0.0788
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1045
• Weighted residual factors for all reflections included in the refinement: 0.117
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No