Information card for entry 2200937

Structure parameters

• Formula: C15 H15 Cl Cu N3
• Calculated formula: C15 H15 Cl Cu N3
• SMILES: c1cccc[n]1[Cu](Cl)([n]1ccccc1)[n]1ccccc1
• Title of publication: Chlorotripyridinecopper(I)
• Authors of publication: Scholz, Stefan; Lerner, Hans-Wolfram; Bolte, Michael
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 2
• Pages of publication: m72 - m73
• a: 14.349 ± 0.002 Å
• b: 9.831 ± 0.002 Å
• c: 11.685 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1648.3 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 36
• Hermann-Mauguin space group symbol: C m c 21
• Hall space group symbol: C 2c -2
• Residual factor for all reflections: 0.0697
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.0693
• Weighted residual factors for all reflections included in the refinement: 0.0748
• Goodness-of-fit parameter for all reflections included in the refinement: 0.944
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes