Information card for entry 7110727

Structure parameters

• Formula: C10 H10 Cl4 N2 Zn
• Calculated formula: C10 H10 Cl4 N2 Zn
• SMILES: [Zn](Cl)(Cl)([Cl-])[Cl-].[nH+]1ccc(cc1)c1cc[nH+]cc1
• Title of publication: Cation-controlled formation of [{MCl4}n]2n− chains in [4,4′-H2bipy][MCl4] (M = Mn, Cd): an alternative to the A2MCl4 <100> layer perovskite structure†
• Authors of publication: Gillon, Amy L.; Guy Orpen, A.; Starbuck, Jonathan; Wang, Xi-Meng; Rodríguez-Martín, Yolanda; Ruiz-Pérez, Catalina
• Journal of publication: Chemical Communications
• Year of publication: 1999
• Journal issue: 22
• Pages of publication: 2287
• a: 7.6507 ± 0.0012 Å
• b: 19.765 ± 0.004 Å
• c: 9.5012 ± 0.0018 Å
• α: 90°
• β: 108.826 ± 0.015°
• γ: 90°
• Cell volume: 1359.9 ± 0.4 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: 0.048
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for significantly intense reflections: 0.051
• Weighted residual factors for all reflections included in the refinement: 0.0554
• Goodness-of-fit parameter for all reflections included in the refinement: 0.917
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No