Information card for entry 1571383

Structure parameters

• Formula: C6 H7 Cl2 Cu N3
• Calculated formula: C6 H7 Cl2 Cu N3
• 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: 8.3731 ± 0.0004 Å
• b: 10.9315 ± 0.0006 Å
• c: 9.5637 ± 0.0003 Å
• α: 90°
• β: 103.022 ± 0.004°
• γ: 90°
• Cell volume: 852.86 ± 0.07 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.056
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.0889
• Weighted residual factors for all reflections included in the refinement: 0.098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No