Information card for entry 7041791

Structure parameters

• Formula: C56 H54 B10 N P3 Pt S
• Calculated formula: C56 H54 B10 N P3 Pt S
• SMILES: [Pt]1(S[C]2345[B]6781[BH]19%10[BH]%11%12%13[BH]%142([BH]2%15%12[BH]%129%11[BH]971[BH]136[BH]4%142[BH]%15%1291)[C]58%10%13N=P(c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Deactivation of the coordinating ability of the iminophosphorane group by the effect of ortho-carborane.
• Authors of publication: Crujeiras, Pablo; Rodríguez-Rey, José Luis; Sousa-Pedrares, Antonio
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 8
• Pages of publication: 2572 - 2593
• a: 14.7193 ± 0.0013 Å
• b: 18.0109 ± 0.0016 Å
• c: 19.568 ± 0.0016 Å
• α: 90°
• β: 97.773 ± 0.005°
• γ: 90°
• Cell volume: 5140 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0397
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.0564
• Weighted residual factors for all reflections included in the refinement: 0.061
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No