Information card for entry 2224675

Structure parameters

• Chemical name: <i>catena</i>-Poly[[di-μ-iodido-dicopper(I)(<i>Cu</i>—<i>Cu</i>)]bis(μ- 4,4'-di-3-pyridyl-2,2'-disulfanediyldipyrimidine)]
• Formula: C36 H24 Cu2 I2 N12 S4
• Calculated formula: C36 H24 Cu2 I2 N12 S4
• SMILES: [I]1[Cu]23[I][Cu]12[n]1cccc(c1)c1nc(ncc1)SSc1nc(ccn1)c1c[n](ccc1)[Cu]12([I][Cu]1([I]2)([n]1cc(ccc1)c1nc(ncc1)SSc1nccc(n1)c1cnccc1)[n]1cc(ccc1)c1nc(ncc1)SSc1nc(ccn1)c1c[n]3ccc1)[n]1cccc(c1)c1nc(ncc1)SSc1nccc(n1)c1cnccc1
• Title of publication: <i>catena</i>-Poly[[di-μ-iodido-dicopper(I)(<i>Cu</i>—<i>Cu</i>)]bis(μ-4,4'-di-3-pyridyl-2,2'-disulfanediyldipyrimidine)]
• Authors of publication: Zhu, Hai-Bin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 1
• Pages of publication: m41
• a: 8.5561 ± 0.0006 Å
• b: 10.7702 ± 0.0008 Å
• c: 11.9045 ± 0.0008 Å
• α: 98.11 ± 0.001°
• β: 107.193 ± 0.001°
• γ: 96.449 ± 0.001°
• Cell volume: 1023.66 ± 0.13 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0484
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.1037
• Weighted residual factors for all reflections included in the refinement: 0.1077
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes