Information card for entry 4108799

Structure parameters

• Formula: C43 H62 B Ni P3
• Calculated formula: C43 H62 B Ni P3
• SMILES: C(C)(C)[P]1(C(C)C)c2ccccc2[B]23c4c(cccc4)[P](C(C)C)(C(C)C)[Ni]13[P](C(C)C)(C(C)C)c1ccccc21.Cc1ccccc1
• Title of publication: Group 10 and 11 Metal Boratranes (Ni, Pd, Pt, CuCl, AgCl, AuCl, and Au+) Derived from a Triphosphine-Borane
• Authors of publication: Marie Sircoglou; Sébastien Bontemps; Ghenwa Bouhadir; Nathalie Saffon; Karinne Miqueu; Weixing Gu; Maxime Mercy; Chun-Hsing Chen; Bruce M. Foxman; Laurent Maron; Oleg V. Ozerov; Didier Bourissou
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 16729 - 16738
• a: 10.8577 ± 0.0003 Å
• b: 19.0236 ± 0.0006 Å
• c: 20.0634 ± 0.0006 Å
• α: 90°
• β: 104.999 ± 0.002°
• γ: 90°
• Cell volume: 4003 ± 0.2 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0281
• Residual factor for significantly intense reflections: 0.0261
• Weighted residual factors for all reflections: 0.0623
• Weighted residual factors for significantly intense reflections: 0.0618
• Weighted residual factors for all reflections included in the refinement: 0.0623
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9909
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No