Information card for entry 4135580

Structure parameters

• Formula: C12 H24 I2 O6 Zn
• Calculated formula: C12 H24 I2 O6 Zn
• Title of publication: 18-Crown-6 Coordinated Metal Halides with Bright Luminescence and Nonlinear Optical Effects.
• Authors of publication: Merzlyakova, Elena; Wolf, Silke; Lebedkin, Sergei; Bayarjargal, Lkhamsuren; Neumeier, B. Lilli; Bartenbach, Daniel; Holzer, Christof; Klopper, Wim; Winkler, Bjoern; Kappes, Manfred; Feldmann, Claus
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2021
• Journal volume: 143
• Journal issue: 2
• Pages of publication: 798 - 804
• a: 16.072 ± 0.0005 Å
• b: 28.0305 ± 0.001 Å
• c: 8.296 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3737.4 ± 0.9 ų
• Cell temperature: 135 ± 2 K
• Ambient diffraction temperature: 135 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0709
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.1167
• Weighted residual factors for all reflections included in the refinement: 0.1241
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No