Information card for entry 7021754

Structure parameters

• Formula: C26 H32 B2 Cu F8 N4 O2
• Calculated formula: C26 H32 B2 Cu F8 N4 O2
• SMILES: c1[n]([Cu]([n]2ccccc2)([n]2ccccc2)([F][B](F)(F)F)([F][B](F)(F)F)[n]2ccccc2)cccc1.O=C(C)C.O=C(C)C
• Title of publication: Anion-dependent host-guest properties of porous assemblies of coordination complexes (PACs), [Cu(A)2(py)4] (A = PF6, BF4, CF3SO3, and CH3SO3; py = pyridine), based on Werner-type copper(ii) complexes in the solid state.
• Authors of publication: Noro, Shin-Ichiro; Fukuhara, Katsuo; Sugimoto, Kunihisa; Hijikata, Yuh; Kubo, Kazuya; Nakamura, Takayoshi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 31
• Pages of publication: 11100 - 11110
• a: 15.2828 ± 0.0005 Å
• b: 15.7662 ± 0.0006 Å
• c: 13.1923 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3178.71 ± 0.19 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0501
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1216
• Weighted residual factors for all reflections included in the refinement: 0.1276
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No