Information card for entry 2239071

Structure parameters

• Chemical name: <i>catena</i>-Poly[[(<i>N</i>,<i>N</i>-dimethylcyanamide-κ<i>N</i>)lithium]-μ~3~-bromido]
• Formula: C3 H6 Br Li N2
• Calculated formula: C3 H6 Br Li N2
• SMILES: [Li]1([N]#CN(C)C)[Br][Li]2([N]#CN(C)C)[Br]1[Li]([N]#CN(C)C)[Br]2
• Title of publication: <i>catena</i>-Poly[[(<i>N</i>,<i>N</i>-dimethylcyanamide-κ<i>N</i>)lithium]-μ~3~-bromido]
• Authors of publication: Xie, Qianwen; Tong, Hongbo; Zhou, Meisu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 2
• Pages of publication: m69 - m70
• a: 4.268 ± 0.0008 Å
• b: 17.214 ± 0.003 Å
• c: 8.9685 ± 0.0017 Å
• α: 90°
• β: 100.089 ± 0.003°
• γ: 90°
• Cell volume: 648.7 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0326
• Residual factor for significantly intense reflections: 0.0247
• Weighted residual factors for significantly intense reflections: 0.0582
• Weighted residual factors for all reflections included in the refinement: 0.0612
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes