Information card for entry 4333707

Structure parameters

• Formula: C29 H59 B Na O8 P Si2
• Calculated formula: C29 H59 B Na O8 P Si2
• SMILES: P([BH3])(C([Si](C)(C)C)[Si](C)(C)C)c1ccccc1.[Na]123456([O]7CC[O]1CC[O]2CC[O]3CC7)[O]1CC[O]6CC[O]5CC[O]4CC1
• Title of publication: Phosphido-Borane and Phosphido-Bis(Borane) Complexes of the Alkali Metals, a Comparative Study
• Authors of publication: Keith Izod; James M. Watson; William Clegg; Ross W. Harrington
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 1466 - 1475
• a: 30.851 ± 0.008 Å
• b: 11.927 ± 0.003 Å
• c: 22.254 ± 0.006 Å
• α: 90°
• β: 114.293 ± 0.003°
• γ: 90°
• Cell volume: 7464 ± 3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0548
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0949
• Weighted residual factors for all reflections included in the refinement: 0.102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.6946 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No