Information card for entry 7037205

Structure parameters

• Formula: C41 H35 B Cl3 F24 N3 Si
• Calculated formula: C41 H35 B Cl3 F24 N3 Si
• SMILES: c1(cc(cc(c1)C(F)(F)F)C(F)(F)F)[B-](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F.C[N]1(C)CC[N]2(C)CC[N](C)(C)[Si]12(Cl)(Cl)Cl
• Title of publication: Cationic aza-macrocyclic complexes of germanium(ii) and silicon(iv).
• Authors of publication: Everett, Matthew; Jolleys, Andrew; Levason, William; Light, Mark E.; Pugh, David; Reid, Gillian
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 48
• Pages of publication: 20898 - 20905
• a: 17.728 ± 0.005 Å
• b: 19.613 ± 0.006 Å
• c: 26.662 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9270 ± 5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1465
• Residual factor for significantly intense reflections: 0.0965
• Weighted residual factors for significantly intense reflections: 0.1366
• Weighted residual factors for all reflections included in the refinement: 0.155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.176
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No