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Information card for entry 4109947
Preview
| Coordinates | 4109947.cif |
|---|---|
| Original paper (by DOI) | HTML |
| 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 Å3 |
| 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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178845 (current) | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/99. |
4109947.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4109947.cif |
| 58726 | 2012-05-30 | cif/ Adding structures of 4109947 via cif-deposit CGI script. |
4109947.cif |
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Users of the data should acknowledge the original authors of the
structural data.