Information card for entry 2208697

Structure parameters

• Chemical name: catena-poly[[bis[5-(4-bromophenyl)-2-(4-pyrimidyl)pyridine]dicopper(I)]-di- μ~3~-bromo]
• Formula: C32 H22 Br4 Cu2 N4
• Calculated formula: C32 H22 Br4 Cu2 N4
• SMILES: [Cu]12([n]3ccc(c4ccc(c5ccc(Br)cc5)cn4)cc3)[Cu]34([Br]1)([n]1ccc(cc1)c1ccc(cn1)c1ccc(Br)cc1)[Cu]15([Cu]([Br]1)([Br]45)[n]1ccc(cc1)c1ccc(cn1)c1ccc(Br)cc1)([Br]23)[n]1ccc(c2ccc(c3ccc(Br)cc3)cn2)cc1
• Title of publication: Hydrothermal synthesis of a copper(I) stair-like polymer: <i>catena</i>-poly[[bis[5-(4-bromophenyl)-2-(4-pyrimidyl)pyridine]dicopper(I)]-di-μ~3~-bromo]
• Authors of publication: Chun-Bo Liu; Bin Li; Guang-Bo Che; Qun Liu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 4
• Pages of publication: m765 - m766
• a: 24.7379 ± 0.0015 Å
• b: 3.9383 ± 0.0002 Å
• c: 32.063 ± 0.002 Å
• α: 90°
• β: 106.344 ± 0.001°
• γ: 90°
• Cell volume: 2997.5 ± 0.3 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 5
• 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: 0.1063
• Residual factor for significantly intense reflections: 0.0792
• Weighted residual factors for significantly intense reflections: 0.1965
• Weighted residual factors for all reflections included in the refinement: 0.2125
• Goodness-of-fit parameter for all reflections included in the refinement: 0.949
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No