Information card for entry 4305703

Structure parameters

• Formula: C11 H25 Cu F6 N2 O3 P
• Calculated formula: C11 H23 Cu F6 N2 O3 P
• SMILES: [Cu]12([O]=C(C)C=C(O1)C)([OH2])[N](CC[N]2(C)C)(C)C.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Binding Properties of Solvatochromic Indicators [Cu(X)(acac)(tmen)] (X = PF6- and BF4-, acac-= Acetylacetonate, tmen =N,N,N',N'-Tetramethylethylenediamine) in Solution and the Solid State
• Authors of publication: Shin-ichiro Noro; Nobuhiro Yanai; Susumu Kitagawa; Tomoyuki Akutagawa; Takayoshi Nakamura
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 7360 - 7365
• a: 9.033 ± 0.0013 Å
• b: 18.81 ± 0.003 Å
• c: 11.5638 ± 0.0013 Å
• α: 90°
• β: 108.306 ± 0.003°
• γ: 90°
• Cell volume: 1865.4 ± 0.5 ų
• Cell temperature: 173.1 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for all reflections included in the refinement: 0.0671
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No