Information card for entry 4078434

Structure parameters

• Formula: C47 H40 Cl2 N4 O4 Pt2
• Calculated formula: C47 H40 Cl2 N4 O4 Pt2
• SMILES: [Pt]12(c3c(c4[n]1c(cc(c4)C(=O)OCC)c1c2cccc1)cccc3)[n]1c(c[n]([Pt]23c4c(c5[n]2c(cc(c5)C(=O)OCC)c2c3cccc2)cccc4)c(c1)C)C.C(Cl)Cl
• 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: 11.8031 ± 0.0009 Å
• b: 11.972 ± 0.0009 Å
• c: 16.1715 ± 0.0012 Å
• α: 73.449 ± 0.001°
• β: 78.35 ± 0.001°
• γ: 80.009 ± 0.001°
• Cell volume: 2128.9 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0866
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1006
• Weighted residual factors for all reflections included in the refinement: 0.1165
• Goodness-of-fit parameter for all reflections included in the refinement: 0.947
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No