Information card for entry 1571381

Structure parameters

• Common name: Pyrazine Copper Chloride
• Formula: C5 H6 Cl2 Cu N4
• Calculated formula: C5 H6 Cl2 Cu N4
• Title of publication: Interplay of Isomorphs and Polymorphs of Amidino-Copper(II) Complexes with Different Halides
• Authors of publication: Yamba, Zaina; Peoble, Anna; Novikov, Egor; Castañeda, Raúl; Timofeeva, Tatiana
• Journal of publication: Crystals
• Year of publication: 2024
• Journal volume: 14
• Journal issue: 4
• Pages of publication: 319
• a: 8.6664 ± 0.0002 Å
• b: 6.2964 ± 0.0002 Å
• c: 14.894 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 812.72 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 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: 0.0663
• Residual factor for significantly intense reflections: 0.0609
• Weighted residual factors for significantly intense reflections: 0.1587
• Weighted residual factors for all reflections included in the refinement: 0.163
• Goodness-of-fit parameter for all reflections included in the refinement: 1.14
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No