Information card for entry 7006301

Structure parameters

• Formula: C20 H16 N2 O Pt
• Calculated formula: C20 H16 N2 O Pt
• SMILES: [Pt]12([n]3c4c5[n]1cccc5ccc4ccc3)Oc1c(CC2)cccc1
• Title of publication: Highly selective metal mediated ortho-alkylation of phenol. First platinum containing organometallic chromane analogues.
• Authors of publication: Vecchio, Vita M.; Benedetti, Michele; Migoni, Danilo; De Pascali, Sandra A.; Ciccarese, Antonella; Marsigliante, Santo; Capitelli, Francesco; Fanizzi, Francesco P.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 48
• Pages of publication: 5720 - 5725
• a: 7.506 ± 0.001 Å
• b: 20.254 ± 0.002 Å
• c: 10.733 ± 0.001 Å
• α: 90°
• β: 102.473 ± 0.006°
• γ: 90°
• Cell volume: 1593.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.08
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.0848
• Weighted residual factors for all reflections included in the refinement: 0.0934
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No