Information card for entry 7042335

Structure parameters

• Formula: C30 H26 Co N8
• Calculated formula: C30 H26 Co N8
• SMILES: c12=C(c3ccc4C(=c5ccc6C(=c7ccc8=C(c(cc1)[n]2[Co](n78)(C#N)(C#N)([n]56)n34)C)C)C)C.N#CC.N#CC
• Title of publication: Structural and transport properties of neutral radical crystals of Co(III)(tmp)(CN)2 (tmp = 5,10,15,20-tetramethylporphyrinato) and the CN-bridged polymer [Co(III)(tmp)(CN)]n.
• Authors of publication: Kurokawa, Masashi; Jose-Larong, Judy Fe F; Hasegawa, Hiroyuki; Takahashi, Yukihiro; Harada, Jun; Inabe, Tamotsu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 13
• Pages of publication: 4422 - 4429
• a: 12.9104 ± 0.0016 Å
• b: 14.7785 ± 0.0018 Å
• c: 14.7219 ± 0.0018 Å
• α: 90°
• β: 114.368 ± 0.0018°
• γ: 90°
• Cell volume: 2558.7 ± 0.5 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 4
• 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: 0.0421
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0969
• Weighted residual factors for all reflections included in the refinement: 0.0993
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No