Information card for entry 1506846

Structure parameters

• Formula: C56 H76 P2 Pt
• Calculated formula: C56 H76 P2 Pt
• SMILES: [Pt]([P](CCCC)(CCCC)CCCC)([P](CCCC)(CCCC)CCCC)(C#Cc1ccc(cc1)/C=C/c1ccccc1)C#Cc1ccc(cc1)/C=C/c1ccccc1
• Title of publication: Photophysics and Photochemistry of Stilbene-Containing Platinum Acetylides
• Authors of publication: Haskins-Glusac, Ksenija; Ghiviriga, Ion; Abboud, Khalil A.; Schanze, Kirk S.
• Journal of publication: The Journal of Physical Chemistry B
• Year of publication: 2004
• Journal volume: 108
• Journal issue: 16
• Pages of publication: 4969
• a: 10.0075 ± 0.0005 Å
• b: 10.7197 ± 0.0006 Å
• c: 12.8122 ± 0.0007 Å
• α: 101.67 ± 0.001°
• β: 109.882 ± 0.001°
• γ: 95.533 ± 0.001°
• Cell volume: 1245.28 ± 0.12 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0327
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0852
• Weighted residual factors for all reflections included in the refinement: 0.0852
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No