Information card for entry 2228516

Structure parameters

• Chemical name: Chlorido(4,4',4''-tri-<i>tert</i>-butyl-2,2':6',2''-terpyridine)platinum(II) tetrafluoridoborate
• Formula: C27 H35 B Cl F4 N3 Pt
• Calculated formula: C27 H35 B Cl F4 N3 Pt
• SMILES: [Pt]12(Cl)[n]3ccc(cc3c3cc(cc([n]13)c1cc(cc[n]21)C(C)(C)C)C(C)(C)C)C(C)(C)C.[B](F)(F)(F)[F-]
• Title of publication: Chlorido(4,4',4''-tri-<i>tert</i>-butyl-2,2':6',2''-terpyridine)platinum(II) tetrafluoridoborate
• Authors of publication: Batrice, Rami J.; Nesterov, Vladimir N.; Smucker, Bradley W.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: m1702 - m1703
• a: 12.5921 ± 0.0007 Å
• b: 16.4998 ± 0.0009 Å
• c: 13.3262 ± 0.0007 Å
• α: 90°
• β: 92.239 ± 0.001°
• γ: 90°
• Cell volume: 2766.6 ± 0.3 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: 0.0255
• Residual factor for significantly intense reflections: 0.0203
• Weighted residual factors for significantly intense reflections: 0.0551
• Weighted residual factors for all reflections included in the refinement: 0.0579
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes