Information card for entry 4066804

Structure parameters

• Formula: C74 H77 Cl3 N6 Ni Pt
• Calculated formula: C74 H77 Cl3 N6 Ni Pt
• SMILES: c12=C3c4c5cc6=C(c7ccc8C(=c9ccc%10C(=c(cc1c1cccc[n]1[Pt]3(Cl)[n]1c5cccc1)n2[Ni]([n]9%10)(n78)[n]46)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(CCl)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: 19.056 ± 0.003 Å
• b: 13.8732 ± 0.0019 Å
• c: 49.033 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12963 ± 3 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1386
• Residual factor for significantly intense reflections: 0.0929
• Weighted residual factors for significantly intense reflections: 0.1937
• Weighted residual factors for all reflections included in the refinement: 0.2128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No