Information card for entry 4301341

Structure parameters

• Formula: C71 H74 Cl13 N5 Ni O Pt
• Calculated formula: C71 H74 Cl13 N5 Ni O Pt
• SMILES: c12=C3C4C=CC5=C(c6ccc7C(=C8C=CC9C(=c(cc1c1cccc[n]1[Pt]3(C#[O])Cl)n2[Ni]([N]8=9)(n67)[N]=45)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)Cl.C(Cl)(Cl)(Cl)Cl.C(Cl)(Cl)(Cl)Cl
• Title of publication: Double Cleavage of sp2 C-H and sp3 C-H Bonds on One Metal Center: DMF-Appended Cyclometalated Platinum(II) and -(IV) Porphyrins
• Authors of publication: Shigeru Yamaguchi; Hiroshi Shinokubo; Atsuhiro Osuka
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 795 - 797
• a: 11.841 ± 0.005 Å
• b: 16.521 ± 0.005 Å
• c: 19.62 ± 0.005 Å
• α: 99.387 ± 0.005°
• β: 103.85 ± 0.005°
• γ: 93.508 ± 0.005°
• Cell volume: 3656 ± 2 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.094
• Residual factor for significantly intense reflections: 0.0807
• Weighted residual factors for significantly intense reflections: 0.2242
• Weighted residual factors for all reflections included in the refinement: 0.2353
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No