Information card for entry 7214647

Structure parameters

• Formula: C48 H56 B4 Cu4 F16 N16 O8
• Calculated formula: C48 H44 B4 Cu4 F16 N16 O8
• Title of publication: Structural controls of 2D sheet copper(i) ethylene and carbonyl coordination polymers directed by anions and solvents
• Authors of publication: Maekawa, Masahiko; Tominaga, Toshi; Sugimoto, Kunihisa; Okubo, Takashi; Kuroda‒Sowa, Takayoshi; Munakata, Megumu; Kitagawa, Susumu
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 18
• Pages of publication: 5955
• a: 12.9479 ± 0.0009 Å
• b: 12.9479 ± 0.0009 Å
• c: 40.274 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6751.9 ± 0.8 ų
• Cell temperature: 120 ± 1 K
• Ambient diffraction temperature: 120 ± 1 K
• Number of distinct elements: 7
• Space group number: 122
• Hermann-Mauguin space group symbol: I -4 2 d
• Hall space group symbol: I -4 2bw
• Residual factor for all reflections: 0.0442
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.1157
• Weighted residual factors for all reflections included in the refinement: 0.1179
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No