Information card for entry 7201043

Structure parameters

• Formula: C17 H17 Br2 Cu3 N7
• Calculated formula: C17 H17 Br2 Cu3 N7
• Title of publication: Solvothermal assembly of a mixed-valence Cu(I,II) cyanide coordination polymer [Cu(II)Cu(I)2(µ-Br)2(µ-CN)2(bdmpp)]n by C‒C bond cleavage of acetonitrile
• Authors of publication: Li, Ling-Ling; Liu, Lei-Lei; Ren, Zhi-Gang; Li, Hong-Xi; Zhang, Yong; Lang, Jian-Ping
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 12
• Pages of publication: 2751
• a: 8.9718 ± 0.0018 Å
• b: 11.025 ± 0.002 Å
• c: 11.152 ± 0.002 Å
• α: 93.22 ± 0.03°
• β: 102.11 ± 0.03°
• γ: 96.21 ± 0.03°
• Cell volume: 1068.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0928
• Residual factor for significantly intense reflections: 0.0629
• Weighted residual factors for significantly intense reflections: 0.1524
• Weighted residual factors for all reflections included in the refinement: 0.1749
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No