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Information card for entry 1571712
Preview
| Coordinates | 1571712.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C160 H168 N14 Ni3 |
|---|---|
| Calculated formula | C160 H168 N14 Ni3 |
| SMILES | C1(=c2cc3c4[n]2[Ni]25n6c1ccc6N1c6c(cc([n]26)=C(c2ccc(n52)N4c2c4[n]5c(=C(c6n7c(cc6)C(=c6[n]8c(cc6)C(=c6n(c(=c34)cc6)[Ni]578)c3cc(cc(c3)C(C)(C)C)C(C)(C)C)c3cc(cc(c3)C(C)(C)C)C(C)(C)C)c3cc(cc(c3)C(C)(C)C)C(C)(C)C)c2)c2c(cc(cc2C)C)C)c2c3n4c(=C(c5[n]6c(=C(c7n8[Ni]46[n]4c2ccc4=C(c8cc7)c2cc(cc(c2)C(C)(C)C)C(C)(C)C)c2cc(cc(c2)C(C)(C)C)C(C)(C)C)cc5)c2cc(cc(c2)C(C)(C)C)C(C)(C)C)cc13)c1c(cc(cc1C)C)C |
| Title of publication | Synthesis of NiII porphyrin—NiII 5,15-diazaporphyrin hybrid tapes |
| Authors of publication | Wang, Lina; Liao, Zian; Lin, Peng; Jia, Yingying; Liu, Le; Xu, Ling; Zhou, Mingbo; Yin, Bangshao; Rao, Yutao; Nakai, Akito; Tanaka, Takayuki; Shimizu, Daiki; Osuka, Atsuhiro; Song, Jianxin |
| Journal of publication | Chemical Science |
| Year of publication | 2024 |
| Journal volume | 15 |
| Journal issue | 26 |
| Pages of publication | 10207 - 10213 |
| a | 16.4956 ± 0.0003 Å |
| b | 19.5137 ± 0.0008 Å |
| c | 27.9638 ± 0.0006 Å |
| α | 90° |
| β | 98.4471 ± 0.0018° |
| γ | 90° |
| Cell volume | 8903.6 ± 0.4 Å3 |
| Cell temperature | 100.2 ± 0.5 K |
| Ambient diffraction temperature | 100.2 ± 0.5 K |
| Number of distinct elements | 4 |
| Space group number | 13 |
| Hermann-Mauguin space group symbol | P 1 2/n 1 |
| Hall space group symbol | -P 2yac |
| Residual factor for all reflections | 0.1191 |
| Residual factor for significantly intense reflections | 0.0939 |
| Weighted residual factors for significantly intense reflections | 0.285 |
| Weighted residual factors for all reflections included in the refinement | 0.3089 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.126 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 292878 (current) | 2024-07-05 | cif/ Updating files of 1571710, 1571711, 1571712, 1571713, 1571714, 1571715, 1571716, 1571717 Original log message: Adding full bibliography for 1571710--1571717.cif. |
1571712.cif |
| 292039 | 2024-05-26 | cif/ Adding structures of 1571710, 1571711, 1571712, 1571713, 1571714, 1571715, 1571716, 1571717 via cif-deposit CGI script. |
1571712.cif |
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Users of the data should acknowledge the original authors of the
structural data.