Information card for entry 4128043

Structure parameters

• Formula: C76 H79 Cl N6 Ni O2
• Calculated formula: C76 H79 Cl N6 Ni O2
• SMILES: c12=C(c3c(c4C(=O)c5c(C6=c7ccc8C9=c%10c(c(c%11=C(c(cc1)[n]2[Ni](n%10%11)([n]78)n3c46)c1ccc(cc1)CCCCCCCCCCCC)N)C(=O)c1ccccc91)cccc5)N)c1ccc(cc1)CCCCCCCCCCCC.c1(ccccc1)Cl
• Title of publication: Coordination-Driven Construction of Porphyrin Nanoribbons at a Highly Oriented Pyrolytic Graphite (HOPG)/Liquid Interface.
• Authors of publication: Carvalho, Mary-Ambre; Dekkiche, Hervé; Nagasaki, Mayumi; Kikkawa, Yoshihiro; Ruppert, Romain
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 26
• Pages of publication: 10137 - 10141
• a: 9.2478 ± 0.0002 Å
• b: 11.722 ± 0.0002 Å
• c: 28.7901 ± 0.0005 Å
• α: 93.79 ± 0.001°
• β: 95.306 ± 0.001°
• γ: 91.105 ± 0.001°
• Cell volume: 3099.74 ± 0.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0872
• Residual factor for significantly intense reflections: 0.0686
• Weighted residual factors for significantly intense reflections: 0.18
• Weighted residual factors for all reflections included in the refinement: 0.1927
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No