Information card for entry 7215028

Structure parameters

• Formula: C51 H54 Cl2 Cu4 I4 O4 S4
• Calculated formula: C51 H54 Cl2 Cu4 I4 O4 S4
• Title of publication: Anion-dependent coordinative networking of macrocycle with copper(i) halides
• Authors of publication: Park, In-Hyeok; Kim, Hyun Jee; Lee, Shim Sung
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 14
• Pages of publication: 4589
• a: 17.0726 ± 0.0015 Å
• b: 21.8272 ± 0.0018 Å
• c: 16.3027 ± 0.0014 Å
• α: 90°
• β: 110.571 ± 0.004°
• γ: 90°
• Cell volume: 5687.8 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0675
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1272
• Weighted residual factors for all reflections included in the refinement: 0.1403
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No