Information card for entry 7019262

Structure parameters

• Formula: C104 H134 N10 O8 Zn2
• Calculated formula: C104 H134 N10 O8 Zn2
• SMILES: c12=Cc3[n]4[Zn]567n2c(=C(c2c(c(c(=Cc8n6c(c(c8C)CCCCC)C=c4c(c3C)CCCCC)[n]52)C)C)c2ccc(N3CCOCCOCCOCC[O](CC3)[Zn]345[n]6c8=Cc9n5c(C=c5[n]4c(C=c4c(c(c(=C(c6c(c8C)C)c6ccc(N8CCOCCOCCOCC[O]7CC8)cc6)n34)C)C)c(c5CCCCC)C)c(c9C)CCCCC)cc2)c(c1C)C
• Title of publication: Synthesis, characterization and cation-induced dimerization of new aza-crown ether-appended metalloporphyrins.
• Authors of publication: Mikhalitsyna, Elena A.; Tyurin, Vladimir S.; Zamylatskov, Ilia A.; Khrustalev, Victor N.; Beletskaya, Irina P.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 25
• Pages of publication: 7624 - 7636
• a: 20.044 ± 0.015 Å
• b: 13.779 ± 0.01 Å
• c: 17.745 ± 0.015 Å
• α: 90°
• β: 111.71 ± 0.02°
• γ: 90°
• Cell volume: 4553 ± 6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.4096
• Residual factor for significantly intense reflections: 0.1071
• Weighted residual factors for significantly intense reflections: 0.0853
• Weighted residual factors for all reflections included in the refinement: 0.1487
• Goodness-of-fit parameter for all reflections included in the refinement: 0.868
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No