Information card for entry 7126037

Structure parameters

• Chemical name: Py-ism-Pt
• Formula: C52 H37 Cl F5 N3 Pt
• Calculated formula: C52 H37 Cl F5 N3 Pt
• SMILES: [Pt]12(c3c4C(=c5[n]1c(C(c1c(F)c(F)c(F)c(F)c1F)=c1[nH]c(cc1)=C(c1c(cc(cc1C)C)C)c1cc(c6[n]2c(c3ccc4)ccc6)ccc1)cc5)c1c(cc(cc1C)C)C)Cl
• Title of publication: Isosmaragdyrin with an N₃C₂ core: stabilization of Rh(i) and organo-Pt(ii) complexes.
• Authors of publication: Das, Mainak; Chitranshi, Sangya; Murugavel, M.; Adinarayana, B.; Suresh, Cherumuttathu H.; Srinivasan, A.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 24
• Pages of publication: 3551 - 3554
• a: 31.6392 ± 0.0015 Å
• b: 8.7956 ± 0.0004 Å
• c: 37.084 ± 0.002 Å
• α: 90°
• β: 93.548 ± 0.005°
• γ: 90°
• Cell volume: 10300.2 ± 0.9 ų
• Cell temperature: 299.2 ± 0.4 K
• Ambient diffraction temperature: 299.2 ± 0.4 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1237
• Residual factor for significantly intense reflections: 0.0907
• Weighted residual factors for significantly intense reflections: 0.2424
• Weighted residual factors for all reflections included in the refinement: 0.2739
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No