Information card for entry 4078433

Structure parameters

• Formula: C26 H23 N3 O2 Pt
• Calculated formula: C26 H23 N3 O2 Pt
• SMILES: [Pt]12(c3ccccc3c3[n]2c(cc(C(=O)OCC)c3)c2c1cccc2)[n]1c(cnc(c1)C)C
• Title of publication: Heteropolynuclear Pt(II)‒M(I) Clusters with a C∧N∧C Biscyclometalated Ligand
• Authors of publication: Fuertes, Sara; Woodall, Christopher H.; Raithby, Paul R.; Sicilia, Violeta
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 11
• Pages of publication: 4228
• a: 8.9564 ± 0.0001 Å
• b: 14.6923 ± 0.0002 Å
• c: 16.573 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2180.84 ± 0.05 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0321
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.0683
• Weighted residual factors for all reflections included in the refinement: 0.0707
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No