Information card for entry 7209769

Structure parameters

• Formula: C21.5 H20.5 Cu I4 N4.5 O Pb
• Calculated formula: C21.5 H20.5 Cu I4 N4.5 O Pb
• Title of publication: Diplex single-crystal-to-single-crystal transformation by different inducement
• Authors of publication: Wang, Guan-E; Xu, Gang; Li, Pei-Xin; Wang, Shuai-Hua; Wang, Ming-Sheng; Guo, Guo-Cong; Huang, Jin-Shun
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 14
• Pages of publication: 2579
• a: 15.86 ± 0.005 Å
• b: 14.713 ± 0.005 Å
• c: 7.995 ± 0.003 Å
• α: 104.946 ± 0.003°
• β: 82.339 ± 0.001°
• γ: 68.821 ± 0.003°
• Cell volume: 1626.8 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0417
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0941
• Weighted residual factors for all reflections included in the refinement: 0.0954
• 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: No