Information card for entry 7712512

Structure parameters

• Formula: C6 H9 Cl2 Cu N3
• Calculated formula: C6 H9 Cl2 Cu N3
• Title of publication: The effect of anions in the synthesis and structure of pyrazolylamidino copper(II) complexes
• Authors of publication: Hsieh, Chang-Chih; Liao, Po-Kuang; Chen, Chia-Wei; Chiang, Ming-Hsi; Horng, Yih-Chern
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 8.4981 ± 0.0003 Å
• b: 6.8635 ± 0.0003 Å
• c: 16.2694 ± 0.0006 Å
• α: 90°
• β: 103.12 ± 0.002°
• γ: 90°
• Cell volume: 924.17 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0453
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0859
• Weighted residual factors for all reflections included in the refinement: 0.0982
• Goodness-of-fit parameter for all reflections included in the refinement: 0.67
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No