Information card for entry 1568241

Structure parameters

• Formula: C10 H8 Br2 Cu N8 O2 Se2
• Calculated formula: C10 H8 Br2 Cu N8 O2 Se2
• Title of publication: Chalcogen bonding in copper(II)-mediated synthesis.
• Authors of publication: Aliyeva, Vusala A.; Gurbanov, Atash V.; Mahmoud, Abdallah G.; Gomila, Rosa M.; Frontera, Antonio; Mahmudov, Kamran T.; Pombeiro, Armando J. L.
• Journal of publication: Faraday discussions
• Year of publication: 2023
• Journal volume: 244
• Journal issue: 0
• Pages of publication: 77 - 95
• a: 5.4742 ± 0.0015 Å
• b: 7.767 ± 0.002 Å
• c: 11.921 ± 0.004 Å
• α: 73.52 ± 0.008°
• β: 79.658 ± 0.008°
• γ: 70.146 ± 0.007°
• Cell volume: 455.2 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0904
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.0894
• Weighted residual factors for all reflections included in the refinement: 0.1013
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No