Information card for entry 7215331

Structure parameters

• Formula: C16 H24 I4 N2 Zn
• Calculated formula: C16 H24 I4 N2 Zn
• SMILES: c1c(cccc1)CC[NH3+].C([NH3+])Cc1ccccc1.[Zn](I)(I)([I-])[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: 8.2036 ± 0.0004 Å
• b: 26.8324 ± 0.0016 Å
• c: 10.988 ± 0.0006 Å
• α: 90°
• β: 90.202 ± 0.004°
• γ: 90°
• Cell volume: 2418.7 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0793
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.149
• Weighted residual factors for all reflections included in the refinement: 0.1603
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No