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Information card for entry 1573932
Preview
| Coordinates | 1573932.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C46 H20 Au N9 |
|---|---|
| Calculated formula | C46 H20 Au N9 |
| SMILES | C1=c2c3c(c4=Cc5c6c(c7=Cc8c9c(c%10C=c%11c%12c(c1[n]%11[Au](n8%10)([n]57)n24)cccc%12)cccc9)cccc6)cccc3.[c-]1(c(c(c(c1C#N)C#N)C#N)C#N)C#N |
| Title of publication | Electrically conductive charge-segregated pseudo-polymorphs comprising highly planar expanded π-electronic cations. |
| Authors of publication | Haketa, Yohei; Nakajima, Ryoya; Maruyama, Yuto; Tanaka, Hiroki; Choi, Wookjin; Seki, Shu; Sato, Shunsuke; Baba, Hitomi; Ishii, Yoshiki; Watanabe, Go; Bulgarevich, Kirill; Takimiya, Kazuo; Deguchi, Kenzo; Ohki, Shinobu; Hashi, Kenjiro; Nakanishi, Takashi; Ishibashi, Yukihide; Asahi, Tsuyoshi; Ohta, Kazuchika; Maeda, Hiromitsu |
| Journal of publication | Chemical science |
| Year of publication | 2025 |
| Journal volume | 16 |
| Journal issue | 12 |
| Pages of publication | 4998 - 5006 |
| a | 7.2275 ± 0.0002 Å |
| b | 29.8407 ± 0.0008 Å |
| c | 30.6964 ± 0.0009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 6620.4 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.058 |
| Residual factor for significantly intense reflections | 0.0495 |
| Weighted residual factors for significantly intense reflections | 0.1313 |
| Weighted residual factors for all reflections included in the refinement | 0.1388 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.004 |
| Diffraction radiation wavelength | 0.812 Å |
| Diffraction radiation type | Synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 298818 (current) | 2025-04-05 | cif/ Updating files of 1573931, 1573932, 1573933, 1573934, 1573935 Original log message: Adding full bibliography for 1573931--1573935.cif. |
1573932.cif |
| 297768 | 2025-02-20 | cif/ Adding structures of 1573931, 1573932, 1573933, 1573934, 1573935 via cif-deposit CGI script. |
1573932.cif |
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Users of the data should acknowledge the original authors of the
structural data.