Information card for entry 7201905

Structure parameters

• Formula: C11 H10 Cu N5 S2
• Calculated formula: C11 H10 Cu N5 S2
• 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: 8.3584 ± 0.0008 Å
• b: 9.1892 ± 0.0009 Å
• c: 17.7463 ± 0.0017 Å
• α: 90°
• β: 97.063 ± 0.002°
• γ: 90°
• Cell volume: 1352.7 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.04
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0815
• Weighted residual factors for all reflections included in the refinement: 0.0842
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No