Information card for entry 7207450

Structure parameters

• Formula: C15 H16 Cu2 I2 N3 S
• Calculated formula: C15 H16 Cu2 I2 N3 S
• Title of publication: Spacer length-controlled assembly of [CunIn]-based coordination polymers from CuI and bis(4-phenylpyrimidine-2-thio)alkane ligands
• Authors of publication: Yang, Xiao-Juan; Li, Hong-Xi; Xu, Zhong-Lin; Li, Hai-Yan; Ren, Zhi-Gang; Lang, Jian-Ping
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 5
• Pages of publication: 1641
• a: 9.889 ± 0.002 Å
• b: 10.169 ± 0.002 Å
• c: 10.898 ± 0.002 Å
• α: 91.87 ± 0.03°
• β: 95.71 ± 0.03°
• γ: 116.91 ± 0.03°
• Cell volume: 968.7 ± 0.4 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.0468
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0749
• Weighted residual factors for all reflections included in the refinement: 0.0784
• Goodness-of-fit parameter for all reflections included in the refinement: 0.945
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No