Information card for entry 7020475

Structure parameters

• Formula: C10 H8 Cu2 N5 O S2
• Calculated formula: C10 H8 Cu2 N5 O S2
• Title of publication: A novel mixed valent Cu(II)-Cu(I) 2D framework made of a hydrazone and μ-SCN bridged metallacyclic loops cross-linked by μ3-SCN chains.
• Authors of publication: Sadhukhan, Dipali; Rizzoli, Corrado; Garribba, Eugenio; Gómez-García, Carlos J; Yahia-Ammar, Akram; Charbonnière, Loïc J; Mitra, Samiran
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 38
• Pages of publication: 11565 - 11568
• a: 17.8523 ± 0.0015 Å
• b: 10.4915 ± 0.0009 Å
• c: 15.9219 ± 0.0014 Å
• α: 90°
• β: 114.23 ± 0.0013°
• γ: 90°
• Cell volume: 2719.4 ± 0.4 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.059
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0863
• Weighted residual factors for all reflections included in the refinement: 0.0979
• 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