Information card for entry 7120881

Structure parameters

• Common name: Local reference Estr. 1039, "Pt4"
• Chemical name: compound 1
• Formula: C86 H88 Cl40 N2 O6 Pt4
• Calculated formula: C86 H84 Cl40 N2 O6 Pt4
• SMILES: [Pt]123(O[Pt]([O]1[Pt]([O]2[Pt](O3)(c1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)c1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)(c1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)c1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)(c1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)c1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)(c1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)c1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC.O=C(C)C.O=C(C)C
• Title of publication: A route to small clusters: a twisted half-hexagram-shaped M4(OH)4 cluster and its capacity for hosting closed-shell metals
• Authors of publication: Ara, I.; García-Monforte, M. A.; González, R.; Falvello, L. R.; Tomás, M.
• Journal of publication: Chemical Communications
• Year of publication: 2017
• a: 50.3157 ± 0.0009 Å
• b: 13.2707 ± 0.0002 Å
• c: 17.5344 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11708.1 ± 0.3 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 K
• Number of distinct elements: 6
• 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: 0.0305
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.0556
• Weighted residual factors for all reflections included in the refinement: 0.0567
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No