Information card for entry 7215336

Structure parameters

• Formula: C16 H24 Br Cl2 I N2 Zn
• Calculated formula: C16 H24 Br Cl2 I N2 Zn
• SMILES: c1c(cccc1)CC[NH3+].C(C[NH3+])c1ccccc1.[Zn](Br)([Cl-])([Cl-])I
• Title of publication: Robust motifs in 2-phenylethylammonium and related tetrahalometallates
• Authors of publication: Rademeyer, Melanie; Tsouris, Christos; Billing, David G.; Lemmerer, Andreas; Charmant, Jonathan
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 10
• Pages of publication: 3485
• a: 7.6962 ± 0.0017 Å
• b: 25.541 ± 0.004 Å
• c: 11.1314 ± 0.0019 Å
• α: 90°
• β: 91.782 ± 0.016°
• γ: 90°
• Cell volume: 2187 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1198
• Residual factor for significantly intense reflections: 0.0949
• Weighted residual factors for significantly intense reflections: 0.2772
• Weighted residual factors for all reflections included in the refinement: 0.301
• Goodness-of-fit parameter for all reflections included in the refinement: 1.142
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No