Information card for entry 4078030

Structure parameters

• Formula: C112 B K O20 P4 Rh
• Calculated formula: C112 B K O20 P4 Rh
• SMILES: [Rh]123([B](c4ccccc4[P]1(c1ccccc1)c1ccccc1)(c1ccccc1[P]2(c1ccccc1)c1ccccc1)c1ccccc1[P]3(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.[K]12345([O]6CC[O]1CC[O]2CC[O]4CC[O]5CC[O]3CC6)([O]1CCOCC1)[O]1CCOCC1.O1CCOCC1.O1CCOCC1.O1CCOCC1.O1CCOCC1.O1CCOCC1
• Title of publication: Synthesis of Rhodaboratranes Bearing Phosphine-Tethered Boranes: Evaluation of the Metal‒Boron Interaction
• Authors of publication: Kameo, Hajime; Hashimoto, Yasuhiro; Nakazawa, Hiroshi
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 8
• Pages of publication: 3155
• a: 26.936 ± 0.002 Å
• b: 14.505 ± 0.0009 Å
• c: 26.8422 ± 0.0019 Å
• α: 90°
• β: 98.819 ± 0.004°
• γ: 90°
• Cell volume: 10363.4 ± 1.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.171
• Residual factor for significantly intense reflections: 0.164
• Weighted residual factors for significantly intense reflections: 0.4275
• Weighted residual factors for all reflections included in the refinement: 0.436
• Goodness-of-fit parameter for all reflections included in the refinement: 1.954
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No