Information card for entry 4310347

Structure parameters

• Formula: C102 H122 B2 Br N3 O P2 Pt
• Calculated formula: C102 H122 B2 Br N3 O P2 Pt
• SMILES: [Pt](C)(C)([P](c1cc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)ccc1)(c1ccccc1)c1ccccc1)[P](c1cc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)ccc1)(c1ccccc1)c1ccccc1.[N+]12(CCCC1)CCCC2.[N+]12(CCCC1)CCCC2.C1CCC[N+]21CCCC2.[Br-].CCOCC
• Title of publication: Coordinating Anions: (Phosphino)tetraphenylborate Ligands as New Reagents for Synthesis
• Authors of publication: Christine M. Thomas; Jonas C. Peters
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 8 - 10
• a: 10.1511 ± 0.0018 Å
• b: 17.534 ± 0.003 Å
• c: 24.912 ± 0.004 Å
• α: 76.949 ± 0.003°
• β: 85.774 ± 0.003°
• γ: 83.253 ± 0.003°
• Cell volume: 4284.5 ± 1.3 ų
• Cell temperature: 98 ± 2 K
• Ambient diffraction temperature: 98 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0535
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.0947
• Weighted residual factors for all reflections included in the refinement: 0.0992
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No