Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 8107512
Preview
Coordinates | 8107512.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C47 H37 Fe2 N O4 P2 Se2 |
---|---|
Calculated formula | C47 H37 Fe2 N O4 P2 Se2 |
Title of publication | Crystal structure of bis(μ-benzeneselenolato)-(μ-[N-benzyl-N-(diphenylphosphanyl)-P,P-diphenylphosphinous amide])-tetracarbonyl diiron (Fe–Fe), C47H37Fe2NO4P2Se2 |
Authors of publication | Bai, Shu-Fen; Lü, Shuang; Li, Qian-Li |
Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
Year of publication | 2023 |
Journal volume | 238 |
Journal issue | 4 |
Pages of publication | 619 - 621 |
a | 12.8144 ± 0.0011 Å |
b | 17.9714 ± 0.0015 Å |
c | 19.1077 ± 0.0017 Å |
α | 90° |
β | 104.329 ± 0.004° |
γ | 90° |
Cell volume | 4263.5 ± 0.6 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0898 |
Residual factor for significantly intense reflections | 0.042 |
Weighted residual factors for significantly intense reflections | 0.0835 |
Weighted residual factors for all reflections included in the refinement | 0.0968 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.001 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
286401 (current) | 2023-09-19 | cif/ Adding structures of 8107512 via cif-deposit CGI script. |
8107512.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.