Information card for entry 4078435

Structure parameters

• Formula: C52 H46 Ag B F4 N6 O4 Pt2
• Calculated formula: C52 H46 Ag B F4 N6 O4 Pt2
• SMILES: c12cc(cc3c4c([Pt]([C]5(=CC=CC=C15)[Ag][C]15=C(C=CC=C1)c1cc(cc6c7c([Pt]5([n]16)[n]1c(cnc(c1)C)C)cccc7)C(=O)OCC)([n]23)[n]1c(cnc(c1)C)C)cccc4)C(=O)OCC.[B](F)(F)(F)[F-]
• 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: 17.161 ± 0.005 Å
• b: 18.165 ± 0.005 Å
• c: 30.518 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9513 ± 4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 29
• Hermann-Mauguin space group symbol: P b 21 a
• Hall space group symbol: P -2a -2ab
• Residual factor for all reflections: 0.1256
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.0931
• Weighted residual factors for all reflections included in the refinement: 0.114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No