Information card for entry 4348342

Structure parameters

• Formula: C32 H20 B2 Cu3 F8 N12
• Calculated formula: C32 H20 B2 Cu3 F8 N12
• SMILES: [B](F)([F][Cu]123n4[n]5c(c6cc7c8cccc[n]8[Cu]89(n%10[n]%11c(c%12cc(c%13cccc[n]1%13)[n]2n%12[Cu]5%11n6[n]78)cc%10c1[n]9cccc1)[F][B](F)(F)F)cc4c1[n]3cccc1)(F)F
• Title of publication: Planar trinuclear complexes with linear arrays of metal ions
• Authors of publication: Terashima, Shotaro; Newton, Graham N.; Shiga, Takuya; Oshio, Hiroki
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2015
• Journal volume: 2
• Journal issue: 2
• Pages of publication: 125
• a: 6.262 ± 0.011 Å
• b: 23.89 ± 0.04 Å
• c: 11.132 ± 0.019 Å
• α: 90°
• β: 104.46 ± 0.03°
• γ: 90°
• Cell volume: 1613 ± 5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1059
• Residual factor for significantly intense reflections: 0.0868
• Weighted residual factors for significantly intense reflections: 0.2123
• Weighted residual factors for all reflections included in the refinement: 0.2238
• Goodness-of-fit parameter for all reflections included in the refinement: 1.171
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No