Information card for entry 1556829

Structure parameters

• Formula: C30 H29 Cl2 Cu2 I2 N O2 S2
• Calculated formula: C30 H29 Cl2 Cu2 I2 N O2 S2
• Title of publication: Snapshot and crystallographic observations of kinetic and thermodynamic products for NO₂S₂ macrocyclic complexes.
• Authors of publication: Park, In-Hyeok; Kang, Yunji; Lee, Eunji; Ju, Huiyeong; Kim, Seulgi; Seo, Sujin; Jung, Jong Hwa; Lee, Shim Sung
• Journal of publication: IUCrJ
• Year of publication: 2018
• Journal volume: 5
• Journal issue: Pt 1
• Pages of publication: 45 - 53
• a: 11.7925 ± 0.0004 Å
• b: 11.9665 ± 0.0004 Å
• c: 13.4375 ± 0.0004 Å
• α: 93.29 ± 0.002°
• β: 95.681 ± 0.002°
• γ: 118.683 ± 0.002°
• Cell volume: 1643.38 ± 0.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0935
• Residual factor for significantly intense reflections: 0.0738
• Weighted residual factors for significantly intense reflections: 0.2191
• Weighted residual factors for all reflections included in the refinement: 0.2336
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No