Information card for entry 4113372

Structure parameters

• Formula: C43 H45 B8 P3 Pt
• Calculated formula: C43 H45 B8 P3 Pt
• SMILES: [Pt]123([P]45([CH]67[BH]895[BH]5%10%11[BH]148[BH]12%11[BH]24%10[BH]695[BH]572[BH]314[H]5)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Syntheses and Structural Characterizations of endo-η1-, exo-η1-, η4-, η5-, and η6-Metallaphosphamonocarbaborane Complexes Derived from a Versatile New Polyborane Ligand: exo-6-R-arachno-6,7-PCB8H12
• Authors of publication: Daniel E. Kadlecek; Alexandra M. Shedlow; Sang Ook Kang; Patrick J. Carroll; Larry G. Sneddon
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 212 - 220
• a: 11.9097 ± 0.0002 Å
• b: 17.2245 ± 0.0004 Å
• c: 10.7383 ± 0.0003 Å
• α: 99.385 ± 0.001°
• β: 107.444 ± 0.002°
• γ: 88.53 ± 0.002°
• Cell volume: 2072.77 ± 0.09 ų
• Cell temperature: 210 ± 2 K
• Ambient diffraction temperature: 210 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.04
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for all reflections: 0.0944
• Weighted residual factors for significantly intense reflections: 0.0917
• Goodness-of-fit parameter for all reflections: 1.091
• Goodness-of-fit parameter for significantly intense reflections: 1.082
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No