Information card for entry 2023230

Structure parameters

• Formula: C44 H48 Cl2 Cu N8 O10
• Calculated formula: C44 H48 Cl2 Cu N8 O10
• Title of publication: Solvatomorphism in a series of copper(II) complexes with the 5-phenylimidazole/perchlorate system as ligands.
• Authors of publication: Loukopoulos, Edward; Papatriantafyllopoulou, Constantina; Moushi, Eleni; Kitos, Alexandros A.; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Nastopoulos, Vassilios
• Journal of publication: Acta crystallographica Section B, Structural science, crystal engineering and materials
• Year of publication: 2024
• Journal volume: 80
• Journal issue: Pt 4
• Pages of publication: 347 - 359
• a: 9.0943 ± 0.0005 Å
• b: 25.0287 ± 0.0017 Å
• c: 10.0253 ± 0.0005 Å
• α: 90°
• β: 107.509 ± 0.006°
• γ: 90°
• Cell volume: 2176.2 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0981
• Residual factor for significantly intense reflections: 0.0621
• Weighted residual factors for significantly intense reflections: 0.1411
• Weighted residual factors for all reflections included in the refinement: 0.1568
• Goodness-of-fit parameter for all reflections included in the refinement: 1.175
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes