Information card for entry 4066806

Structure parameters

• Formula: C83 H88 Cl15 N6 Ni Pt
• Calculated formula: C83 H88.38 Cl15 N6 Ni Pt
• SMILES: c12=C3c4c5cc6C(=c7ccc8C(=c9ccc%10=C(c(cc1c1cccc[n]1[Pt]3(c1ccccc1)[n]1c5cccc1)[n]2[Ni](n9%10)([n]78)n46)c1cc(cc(c1)C(C)(C)C)C(C)(C)C)c1cc(cc(c1)C(C)(C)C)C(C)(C)C)c1cc(cc(c1)C(C)(C)C)C(C)(C)C.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.ClC(Cl)Cl
• Title of publication: Platinum(II) and Platinum(IV) Porphyrin Pincer Complexes: Synthesis, Structures, and Reactivity
• Authors of publication: Yoshida, Keita; Yamaguchi, Shigeru; Osuka, Atsuhiro; Shinokubo, Hiroshi
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 17
• Pages of publication: 3997
• a: 15.13 ± 0.005 Å
• b: 17.343 ± 0.005 Å
• c: 17.879 ± 0.005 Å
• α: 93.589 ± 0.005°
• β: 97.035 ± 0.005°
• γ: 103.735 ± 0.005°
• Cell volume: 4502 ± 2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0894
• Residual factor for significantly intense reflections: 0.0786
• Weighted residual factors for significantly intense reflections: 0.2213
• Weighted residual factors for all reflections included in the refinement: 0.232
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No