Information card for entry 7201904

Structure parameters

• Formula: C15 H15 Cu I N6 S3
• Calculated formula: C15 H15 Cu I N6 S3
• Title of publication: Tuning framework formation by flexible ligand elongation and second ligating spacer variation: increasing dimensionality and macrocycle size
• Authors of publication: Shi, Wen-Juan; Ruan, Cheng-Xiang; Li, Zhen; Li, Mian; Li, Dan
• Journal of publication: CrystEngComm
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 6
• Pages of publication: 778
• a: 8.805 ± 0.001 Å
• b: 9.0434 ± 0.001 Å
• c: 12.5826 ± 0.0014 Å
• α: 87.137 ± 0.002°
• β: 85.596 ± 0.002°
• γ: 88.277 ± 0.002°
• Cell volume: 997.37 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0482
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0936
• Weighted residual factors for all reflections included in the refinement: 0.1064
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No