Information card for entry 7026273

Structure parameters

• Common name: Bis(?2-bromo-bis(2-phenylaziridine)copper(i))
• Chemical name: Bis[?2-bromo-bis(2-phenylaziridine)copper(I)]
• Formula: C32 H36 Br2 Cu2 N4
• Calculated formula: C32 H36 Br2 Cu2 N4
• SMILES: [Br]1[Cu]2([Br][Cu]12([NH]1[C@@H](C1)c1ccccc1)[NH]1[C@@H](C1)c1ccccc1)([NH]1[C@@H](C1)c1ccccc1)[NH]1[C@@H](C1)c1ccccc1.[Br]1[Cu]2([Br][Cu]12([NH]1[C@H](C1)c1ccccc1)[NH]1[C@H](C1)c1ccccc1)([NH]1[C@H](C1)c1ccccc1)[NH]1[C@H](C1)c1ccccc1
• Title of publication: Reactions of Cu(I)Br with aziridine derivatives. Synthesis, characterization and crystal structures of monomeric, dimeric and hexameric aziridine (= az) complexes of the formal type [CuBr(az)2]n (n = 1, 2) and [CuBr(az)]6.
• Authors of publication: Bobka, Roman; Roedel, J. Nicolas; Wirth, Stefan; Lorenz, Ingo-Peter
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 42
• Pages of publication: 10142 - 10147
• a: 9.6189 ± 0.0003 Å
• b: 10.3653 ± 0.0003 Å
• c: 16.4816 ± 0.0005 Å
• α: 79.417 ± 0.001°
• β: 73.374 ± 0.001°
• γ: 89.218 ± 0.001°
• Cell volume: 1546.46 ± 0.08 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0559
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.0999
• Weighted residual factors for all reflections included in the refinement: 0.1074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No