Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
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 |
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 |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.