Information card for entry 7712509

Structure parameters

• Formula: C18 H26 B2 Cl2 Cu2 F8 N10
• Calculated formula: C18 H26 B2 Cl2 Cu2 F8 N10
• SMILES: [Cu]12([Cl][Cu]3([Cl]2)([n]2n(C(=[NH]3)CC)ccc2)[n]2[nH]ccc2)([n]2n(C(=[NH]1)CC)ccc2)[n]1[nH]ccc1.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-]
• 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: 6.6757 ± 0.0004 Å
• b: 14.7202 ± 0.0008 Å
• c: 14.3589 ± 0.0008 Å
• α: 90°
• β: 93.853 ± 0.003°
• γ: 90°
• Cell volume: 1407.83 ± 0.14 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0392
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.1029
• Weighted residual factors for all reflections included in the refinement: 0.1059
• Goodness-of-fit parameter for all reflections included in the refinement: 0.851
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No