Information card for entry 4108625

Structure parameters

• Formula: C158 H167 Cl6 N10 Ni2 Pt
• Calculated formula: C158 H167 Cl6 N10 Ni2 Pt
• SMILES: c12=C3c4ccc5C(=c6ccc7C(=c8ccc9=C(c(cc1c1cccc[n]1[Pt]13(C3=c%10c(cc%11C(=c%12ccc%13=C(c%14ccc%15=C(c%16ccc3n%16[Ni]([n]%10%11)(n%12%13)[n]%14%15)c3cc(cc(c3)C(C)(C)C)C(C)(C)C)c3cc(cc(c3)C(C)(C)C)C(C)(C)C)c3cc(cc(c3)C(C)(C)C)C(C)(C)C)c3cccc[n]13)(Cl)Cl)[n]2[Ni](n89)([n]67)n45)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.c1(ccccc1)Cl.c1(ccccc1)Cl.Clc1ccccc1.Clc1ccccc1
• Title of publication: Pt(II)- and Pt(IV)-Bridged Cofacial Diporphyrins via Carbon-Transition Metal σ-Bonds
• Authors of publication: Shigeru Yamaguchi; Taisuke Katoh; Hiroshi Shinokubo; Atsuhiro Osuka
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 14440 - 14441
• a: 13.5747 ± 0.0015 Å
• b: 30.56 ± 0.003 Å
• c: 33.71 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13984 ± 3 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0429
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0846
• Weighted residual factors for all reflections included in the refinement: 0.0917
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No