Information card for entry 7231129

Structure parameters

• Formula: C9 H7 Br2 Cl7 Cu N4 Re
• Calculated formula: C9 H7 Br2 Cl7 Cu N4 Re
• Title of publication: Halogen⋯halogen interactions in the self-assembly of one-dimensional 2,2′-bipyrimidine-based CuIIReIV systems
• Authors of publication: Armentano, Donatella; Sanchis-Perucho, Adrián; Rojas-Dotti, Carlos; Martínez-Lillo, José
• Journal of publication: CrystEngComm
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 32
• Pages of publication: 4575
• a: 6.8596 ± 0.0002 Å
• b: 24.0998 ± 0.0009 Å
• c: 12.4418 ± 0.0005 Å
• α: 90°
• β: 102.665 ± 0.002°
• γ: 90°
• Cell volume: 2006.77 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.0346
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0932
• Weighted residual factors for all reflections included in the refinement: 0.0948
• Goodness-of-fit parameter for all reflections included in the refinement: 1.181
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No