Information card for entry 7048339

Structure parameters

• Formula: C40 H32 Cr2 F12 O11
• Calculated formula: C40 H22 Cr2 F12 O11
• Title of publication: Strong electronic influence of equatorial ligands on frontier orbitals in paddlewheel dichromium(ii,ii) complexes.
• Authors of publication: Huang, Po-Jung; Natori, Yoshiki; Kitagawa, Yasutaka; Sekine, Yoshihiro; Kosaka, Wataru; Miyasaka, Hitoshi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 3
• Pages of publication: 908 - 914
• a: 14.874 ± 0.003 Å
• b: 15.244 ± 0.003 Å
• c: 18.47 ± 0.004 Å
• α: 90°
• β: 95.212 ± 0.004°
• γ: 90°
• Cell volume: 4170.6 ± 1.5 ų
• Cell temperature: 103 K
• Ambient diffraction temperature: 103 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0993
• Residual factor for significantly intense reflections: 0.0745
• Weighted residual factors for significantly intense reflections: 0.1943
• Weighted residual factors for all reflections included in the refinement: 0.2251
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No