Information card for entry 1563961

Structure parameters

• Formula: C27 H36 B2 Cu F8 N12
• Calculated formula: C27 H36 B2 Cu F8 N12
• SMILES: [Cu]123([n]4n(C)c(C)cc4c4[n]1[nH]c(c4)C)([n]1n(C)c(C)cc1c1[n]2[nH]c(c1)C)[n]1n(C)c(C)cc1c1[n]3[nH]c(c1)C.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-]
• Title of publication: Cu(II) and Mn(II) coordination complexes constructed by C linked bispyrazoles: Effect of anions and hydrogen bonding on the self assembly process
• Authors of publication: El-Massaoudi, Mohamed; Radi, Smaail; Mabkhot, Yahia N.; Al-Showiman, Salim S.; Ghabbour, Hazem A.; Ferbinteanu, Marilena; Adarsh, N.N.; Garcia, Yann
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2018
• Journal volume: 482
• Pages of publication: 411 - 419
• a: 12.2102 ± 0.0005 Å
• b: 23.6845 ± 0.0008 Å
• c: 13.2715 ± 0.0009 Å
• α: 90°
• β: 112.206 ± 0.008°
• γ: 90°
• Cell volume: 3553.4 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1158
• Residual factor for significantly intense reflections: 0.0777
• Weighted residual factors for significantly intense reflections: 0.2376
• Weighted residual factors for all reflections included in the refinement: 0.2691
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No