Information card for entry 7217660

Structure parameters

• Formula: C30 H14 Cu F8 O4
• Calculated formula: C30 H14 Cu F8 O4
• SMILES: [Cu]12(OC(=CC(=[O]1)c1c(F)cccc1F)c1c(cccc1F)F)OC(=CC(=[O]2)c1c(F)cccc1F)c1c(cccc1F)F
• Title of publication: Guest-adjusted encapsulation and thermal studies of non-porous mononuclear Cu(ii) coordination complexes through electrostatic interactions induced by fluorine substitution
• Authors of publication: Hori, Akiko; Nakajima, Kyosuke; Akimoto, Yuuki; Naganuma, Kohei; Yuge, Hidetaka
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 37
• Pages of publication: 8805
• a: 7.1345 ± 0.0005 Å
• b: 7.3565 ± 0.0005 Å
• c: 12.0946 ± 0.0008 Å
• α: 97.506 ± 0.001°
• β: 100.942 ± 0.001°
• γ: 94.594 ± 0.001°
• Cell volume: 614.31 ± 0.07 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0257
• Residual factor for significantly intense reflections: 0.0244
• Weighted residual factors for significantly intense reflections: 0.063
• Weighted residual factors for all reflections included in the refinement: 0.0637
• 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: No
• Has Fobs: No