Information card for entry 7009997

Structure parameters

• Formula: C10 H10 Br4 N2 Zn
• Calculated formula: C10 H10 Br4 N2 Zn
• SMILES: [Zn](Br)(Br)([Br-])[Br-].[nH+]1ccc(cc1)c1cc[nH+]cc1
• Title of publication: Organic‒inorganic hybrid solids: control of perhalometallate solid state structures †
• Authors of publication: Gillon, Amy L.; Lewis, Gareth R.; Orpen, A. Guy; Rotter, Sarah; Starbuck, Jonathan; Wang, Xi-Meng; Rodríguez-Martín, Yolanda; Ruiz-Pérez, Catalina
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 21
• Pages of publication: 3897
• a: 7.8031 ± 0.0008 Å
• b: 20.594 ± 0.002 Å
• c: 9.7596 ± 0.0009 Å
• α: 90°
• β: 107.916 ± 0.002°
• γ: 90°
• Cell volume: 1492.3 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0548
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0679
• Weighted residual factors for all reflections included in the refinement: 0.0731
• Goodness-of-fit parameter for all reflections included in the refinement: 0.928
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No