Information card for entry 7117230

Structure parameters

• Formula: C50 H60 B F24 Na P6
• Calculated formula: C50 H44 B F24 Na P6
• SMILES: [B-](c1cc(C(F)(F)F)cc(c1)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)c1cc(cc(c1)C(F)(F)F)C(F)(F)F.C[P]1(C)CC[P](C)(C)[Na]231([P](C)(C)CC[P]2(C)C)[P](C)(CC[P]3(C)C)C
• Title of publication: Unique Group 1 cations stabilised by homoleptic neutral phosphine coordination
• Authors of publication: Marina Carravetta; Maria Concistre; William Levason; Gillian Reid; Wenjian Zhang
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 9555
• a: 18.4514 ± 0.001 Å
• b: 13.2631 ± 0.001 Å
• c: 26.133 ± 0.002 Å
• α: 90°
• β: 90.826 ± 0.003°
• γ: 90°
• Cell volume: 6394.7 ± 0.8 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1038
• Residual factor for significantly intense reflections: 0.0666
• Weighted residual factors for significantly intense reflections: 0.166
• Weighted residual factors for all reflections included in the refinement: 0.1947
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No