Information card for entry 7117231

Structure parameters

• Formula: C62 H60 B F24 Na P6
• Calculated formula: C62 H60 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.[P]1(C)(C)c2ccccc2[P](C)(C)[Na]321([P](C)(C)c1ccccc1[P]3(C)C)[P](C)(C)c1ccccc1[P]2(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: 12.5084 ± 0.001 Å
• b: 16.4798 ± 0.001 Å
• c: 17.5637 ± 0.001 Å
• α: 79.047 ± 0.004°
• β: 78.403 ± 0.004°
• γ: 81.625 ± 0.004°
• Cell volume: 3460.2 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0625
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.1427
• Weighted residual factors for all reflections included in the refinement: 0.1493
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No