Information card for entry 4076071

Structure parameters

• Formula: C36 H58 B N5 Pt
• Calculated formula: C36 H58 B N5 Pt
• SMILES: C[Pt]1(C)[n]2cccn2[B](n2ccc[n]12)(c1ccccc1)c1ccccc1.C([N+](CCCC)(CCCC)CCCC)CCC
• Title of publication: Comparative Studies with Zwitterionic Platinum(II) Bis(pyrazolyl)borate and 2,2‘-Bipyridylborate Complexes
• Authors of publication: Thomas, Christine M.; Peters, Jonas C.
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 24
• Pages of publication: 5858
• a: 9.7813 ± 0.0006 Å
• b: 23.2181 ± 0.0014 Å
• c: 15.7888 ± 0.0009 Å
• α: 90°
• β: 92.114 ± 0.001°
• γ: 90°
• Cell volume: 3583.2 ± 0.4 ų
• Cell temperature: 96 ± 2 K
• Ambient diffraction temperature: 96 ± 2 K
• Number of distinct elements: 5
• 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: 0.0327
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0721
• Weighted residual factors for all reflections included in the refinement: 0.0728
• Goodness-of-fit parameter for all reflections included in the refinement: 1.773
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No