Information card for entry 7038403

Structure parameters

• Chemical name: BisPt
• Formula: C66 H60 Cl4 N6 Pt2
• Calculated formula: C66 H60 Cl4 N6 Pt2
• SMILES: C1(N(C)c2c(N1C)c1cc(cc3c4N(C(N(c4c4cc(cc2c4c13)C(C)(C)C)C)=[Pt]12c3ccccc3c3[n]2c(c2c1cccc2)ccc3)C)C(C)(C)C)=[Pt]12c3c(c4[n]2c(c2c1cccc2)ccc4)cccc3.C(Cl)Cl.C(Cl)Cl
• Title of publication: Pincer-CNC mononuclear, dinuclear and heterodinuclear Au(iii) and Pt(ii) complexes supported by mono- and poly-N-heterocyclic carbenes: synthesis and photophysical properties.
• Authors of publication: Gonell, S.; Poyatos, M.; Peris, E.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 13
• Pages of publication: 5549 - 5556
• a: 18.3864 ± 0.0006 Å
• b: 10.944 ± 0.0003 Å
• c: 15.1682 ± 0.0005 Å
• α: 90°
• β: 111.1 ± 0.004°
• γ: 90°
• Cell volume: 2847.52 ± 0.17 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: 0.0378
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0816
• Weighted residual factors for all reflections included in the refinement: 0.0837
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No