Information card for entry 4319648

Structure parameters

• Formula: C9 H28 B9 P
• Calculated formula: C9 H28 B9 P
• SMILES: [PH]([C]123[BH]456[BH]789[BH]%1014[BH]147[BH]7%118[BH]859[BH]5%11([BH]47([C]2%101C)[H]5)[BH]368)(C(C)C)C(C)C
• Title of publication: Contribution of the nido-[7,8-C~2~B~9~H~10~]^-^ Anion to the Chemical Stability, Basicity, and ^31^P NMR Chemical Shift in nido-o-Carboranylmonophosphines
• Authors of publication: Francesc Teixidor; Rosario Núñez; Clara Viñas; Reijo Sillanpää; Raikko Kivekäs
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 2587 - 2594
• a: 11.186 ± 0.0009 Å
• b: 9.3633 ± 0.001 Å
• c: 16.1673 ± 0.0011 Å
• α: 90°
• β: 93.09 ± 0.007°
• γ: 90°
• Cell volume: 1690.9 ± 0.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• 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: 0.0596
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.099
• Weighted residual factors for all reflections included in the refinement: 0.1085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No