Information card for entry 4301339

Structure parameters

• Formula: C88 H95 Cl5 N6 Ni O Pt
• Calculated formula: C88 H95 Cl5 N6 Ni O Pt
• SMILES: [Pt]12(Cl)(Cl)([O]=CN(C2)C)[n]2c(c3c4=C1c1n5[Ni]67[n]4c(c3)C(=c3n6c(=C(c4[n]7c(=C(c5cc1)c1cc(cc(c1)C(C)(C)C)C(C)(C)C)cc4)c1cc(cc(c1)C(C)(C)C)C(C)(C)C)cc3)c1cc(cc(c1)C(C)(C)C)C(C)(C)C)cccc2.Clc1ccccc1.Clc1ccccc1.Clc1ccccc1
• 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: 14.277 ± 0.004 Å
• b: 16.45 ± 0.005 Å
• c: 17.619 ± 0.004 Å
• α: 89.353 ± 0.012°
• β: 78.992 ± 0.011°
• γ: 85.74 ± 0.012°
• Cell volume: 4050.6 ± 1.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0592
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.1331
• Weighted residual factors for all reflections included in the refinement: 0.1396
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No