Information card for entry 1553735

Structure parameters

• Formula: C162 H174 Cl10 N8 Ni2 Pt
• Calculated formula: C162 H174 Cl10 N8 Ni2 Pt
• SMILES: c12ccc3C(=c4ccc5[n]4[Ni]4(n13)n1c(=C5c3cc(cc(c3)C(C)(C)C)C(C)(C)C)ccc1=C(c1[n]4c(cc1)=C2[Pt]123([CH]4=[CH]1CC[CH]3=[CH]2CC4)C1=c2[n]3c(cc2)C(=c2n4c(=C(c5[n]6c(cc5)=C(c5n(c1cc5)[Ni]346)c1cc(C(C)(C)C)cc(C(C)(C)C)c1)c1cc(cc(c1)C(C)(C)C)C(C)(C)C)cc2)c1cc(C(C)(C)C)cc(C(C)(C)C)c1)c1cc(cc(c1)C(C)(C)C)C(C)(C)C)c1cc(cc(c1)C(C)(C)C)C(C)(C)C.c1cccc(Cl)c1Cl.c1ccc(Cl)c(Cl)c1.Clc1ccccc1Cl.Clc1c(Cl)cccc1.Clc1ccccc1Cl
• Title of publication: meso-to-meso PtII-bridged NiII-porphyrin dimers
• Authors of publication: Fukui, Norihito; Jiang, Hua-Wei; Osuka, Atsuhiro
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2017
• Journal volume: 4
• Journal issue: 5
• Pages of publication: 767
• a: 16.142 ± 0.003 Å
• b: 21.227 ± 0.004 Å
• c: 22.446 ± 0.004 Å
• α: 106.1 ± 0.005°
• β: 92.132 ± 0.001°
• γ: 93.364 ± 0.006°
• Cell volume: 7365 ± 2 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 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: 0.0683
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.1606
• Weighted residual factors for all reflections included in the refinement: 0.1669
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No