Information card for entry 1529311

Structure parameters

• Chemical name: 2-2 Pt(II)(PPh3)2-bridged 18-18 directlylinked Ni(II) diporphyrin
• Formula: C164.8 H174 Cl12 N8 Ni2 O P2 Pt
• Calculated formula: C164.8 H174 Cl12 N8 Ni2 O P2 Pt
• SMILES: [Pt]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)c2c3=Cc4n5[Ni]67[n]3c(c2)C(=c2n6c(=C(c3[n]7c(=C(c5cc4c4cc5=C(c6n7[Ni]89n%10c(=C(c%11[n]8c(=C(c7cc6)c6cc(cc(c6)C(C)(C)C)C(C)(C)C)cc%11)c6cc(cc(c6)C(C)(C)C)C(C)(C)C)cc1c%10=Cc4[n]59)c1cc(cc(c1)C(C)(C)C)C(C)(C)C)c1cc(cc(c1)C(C)(C)C)C(C)(C)C)cc3)c1cc(cc(c1)C(C)(C)C)C(C)(C)C)cc2)c1cc(cc(c1)C(C)(C)C)C(C)(C)C.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.OC.O
• Title of publication: Singly and doubly β-to-β platinum-bridged porphyrin dimers and their reductive eliminations
• Authors of publication: Jiang, Hua-Wei; Tanaka, Takayuki; Osuka, Atsuhiro
• Journal of publication: Chem. Sci.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 11
• Pages of publication: 6102
• a: 64.086 ± 0.014 Å
• b: 12.967 ± 0.003 Å
• c: 40.547 ± 0.008 Å
• α: 90°
• β: 102.6 ± 0.005°
• γ: 90°
• Cell volume: 32883 ± 12 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1095
• Residual factor for significantly intense reflections: 0.0947
• Weighted residual factors for significantly intense reflections: 0.2538
• Weighted residual factors for all reflections included in the refinement: 0.271
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No