Information card for entry 4308325

Structure parameters

• Chemical name: tris(bis(hexafluoroacetylacetonato)-copper(II)) -bis(mu2-2-thia-6-selenaspiro[3,3]heptane-Se,S)
• Formula: C40 H22 Cu3 F36 O12 S2 Se2
• Calculated formula: C38 H22 Cu3 F35.94 O12 S2 Se2
• Title of publication: Spirocyclic Sulfur and Selenium Ligands as Molecular Rigid Rods in Coordination of Transition Metal Centers
• Authors of publication: Marina A. Petrukhina; Colin Henck; Bo Li; Eric Block; Jin Jin; Shao-Zhong Zhang; Rodolphe Clerac
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 77 - 84
• a: 11.2238 ± 0.0015 Å
• b: 11.4147 ± 0.0015 Å
• c: 12.4732 ± 0.0017 Å
• α: 91.251 ± 0.002°
• β: 98.773 ± 0.002°
• γ: 110.096 ± 0.002°
• Cell volume: 1478.4 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0845
• Residual factor for significantly intense reflections: 0.0625
• Weighted residual factors for significantly intense reflections: 0.166
• Weighted residual factors for all reflections included in the refinement: 0.1828
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No