Information card for entry 7112402

Structure parameters

• Common name: 1_253
• Formula: C10 H8 Br2 N2 Zn
• Calculated formula: C10 H8 Br2 N2 Zn
• SMILES: c12cccc[n]1[Zn]([n]1c2cccc1)(Br)Br
• Title of publication: On the propulsion mechanism of "jumping" crystals.
• Authors of publication: Lusi, Matteo; Bernstein, Joel
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2013
• Journal volume: 49
• Journal issue: 81
• Pages of publication: 9293 - 9295
• a: 10.7281 ± 0.0005 Å
• b: 14.8021 ± 0.0007 Å
• c: 7.7704 ± 0.0003 Å
• α: 90°
• β: 98.098 ± 0.002°
• γ: 90°
• Cell volume: 1221.62 ± 0.09 ų
• Cell temperature: 252 ± 2 K
• Ambient diffraction temperature: 252 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0916
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0829
• Weighted residual factors for all reflections included in the refinement: 0.0974
• Goodness-of-fit parameter for all reflections included in the refinement: 0.955
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No