Information card for entry 2016532

Structure parameters

• Common name: (1,10-phenanthroline)(DMSO)copper(II) dibromide
• Chemical name: Dibromido(dimethyl sulfoxide-κO)(1,10-phenanthroline-κ^2^N,N')copper(II)
• Formula: C14 H14 Br2 Cu N2 O S
• Calculated formula: C14 H14 Br2 Cu N2 O S
• SMILES: [Cu]1(Br)(Br)([n]2cccc3ccc4ccc[n]1c4c23)[O]=S(C)C
• Title of publication: Dibromido(dimethyl sulfoxide-κ<i>O</i>)(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)
• Authors of publication: Oh, Myeong-Jin; Kim, Hee-Jin; Kang, Sung Kwon; Choi, Sung-Nak; Lee, Yong-Min
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 4
• Pages of publication: m153 - m155
• a: 8.3984 ± 0.0002 Å
• b: 14.0857 ± 0.0003 Å
• c: 14.5004 ± 0.0003 Å
• α: 90°
• β: 106.667 ± 0.002°
• γ: 90°
• Cell volume: 1643.29 ± 0.06 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 7
• 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: 0.0805
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0929
• Weighted residual factors for all reflections included in the refinement: 0.127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes