Information card for entry 1571384

Structure parameters

• 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: 8.4622 ± 0.0012 Å
• b: 10.6392 ± 0.0014 Å
• c: 9.6678 ± 0.0013 Å
• α: 90°
• β: 99.036 ± 0.005°
• γ: 90°
• Cell volume: 859.6 ± 0.2 ų
• Cell temperature: 100.15 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0343
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.0674
• Weighted residual factors for all reflections included in the refinement: 0.0704
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No