Information card for entry 4109947

Structure parameters

• Formula: C137 H48 Au2 F30 N6
• Calculated formula: C137 H48 Au2 F30 N6
• SMILES: [Au]123n4c5c(c(c4C(=c4c1c1[Au]67n8c(=C(c9c(c(c(=C(c1n4)c1c(c(c(c(c1F)F)F)F)F)[n]79)C#Cc1ccccc1)C#Cc1ccccc1)c1c(c(c(c(c1F)F)F)F)F)c(c(c8=C(c1nc(=C(c4c(c(c(=C5c5c(c(c(c(c5F)F)F)F)F)[n]34)C#Cc3ccccc3)C#Cc3ccccc3)c3c(c(c(c(c3F)F)F)F)F)c2c61)c1c(c(c(c(c1F)F)F)F)F)C#Cc1ccccc1)C#Cc1ccccc1)c1c(c(c(c(c1F)F)F)F)F)C#Cc1ccccc1)C#Cc1ccccc1.c1(ccccc1)C
• Title of publication: Peripheral Fabrications of a Bis-Gold(III) Complex of [26]Hexaphyrin(1.1.1.1.1.1) and Aromatic versus Antiaromatic Effect on Two-Photon Absorption Cross Section
• Authors of publication: Shigeki Mori; Kil Suk Kim; Zin Seok Yoon; Su Bum Noh; Dongho Kim; Atsuhiro Osuka
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 11344 - 11345
• a: 17.1064 ± 0.0018 Å
• b: 18.4071 ± 0.0019 Å
• c: 21.029 ± 0.002 Å
• α: 109.458 ± 0.002°
• β: 97.07 ± 0.002°
• γ: 104.393 ± 0.002°
• Cell volume: 5891.8 ± 1 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1102
• Residual factor for significantly intense reflections: 0.0655
• Weighted residual factors for significantly intense reflections: 0.1889
• Weighted residual factors for all reflections included in the refinement: 0.2176
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No