Information card for entry 4068144

Structure parameters

• Formula: C37 H47 B2 N P2 Ru
• Calculated formula: C37 H47 B2 N P2 Ru
• SMILES: [Ru]12345([P](C)(C)CC[P]1(C)C)([cH]1[cH]2[cH]3[cH]4[cH]51)=BN(C)C.c1ccc(cc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: (Dimethylamino)borylene and Related Complexes of Electron-Rich Metal Fragments: Generation of Nucleophile-Resistant Cations by Spontaneous Halide Ejection
• Authors of publication: Addy, David A.; Phillips, Nicholas; Pierce, Glesni A.; Vidovic, Dragoslav; Krämer, Tobias; Mallick, Dibyendu; Jemmis, Eluvathingal D.; Reid, Gill; Aldridge, Simon
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 3
• Pages of publication: 1092
• a: 16.5222 ± 0.0002 Å
• b: 11.8439 ± 0.0001 Å
• c: 19.3552 ± 0.0002 Å
• α: 90°
• β: 110.547 ± 0.0006°
• γ: 90°
• Cell volume: 3546.62 ± 0.07 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0587
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for all reflections: 0.1294
• Weighted residual factors for significantly intense reflections: 0.1211
• Weighted residual factors for all reflections included in the refinement: 0.1293
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9288
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No