Information card for entry 7205409

Structure parameters

• Formula: C48 H67 Br4 Cu4 N17 O0
• Calculated formula: C48 H67 Br4 Cu4 N17
• Title of publication: Cleaving the framework of CuX with a tetrapyrazolyl-based ligand to construct [CuX]n-based coordination polymers
• Authors of publication: Zhang, Liang; Ren, Zhi-Gang; Li, Hong-Xi; Lang, Jian-Ping
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 5
• Pages of publication: 1400
• a: 14.01 ± 0.003 Å
• b: 16.294 ± 0.003 Å
• c: 14.793 ± 0.003 Å
• α: 90°
• β: 106.91 ± 0.03°
• γ: 90°
• Cell volume: 3230.9 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0667
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.1202
• Weighted residual factors for all reflections included in the refinement: 0.1308
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No