Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7704935
Preview
Coordinates | 7704935.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C28 H32 Mn N3 O6 |
---|---|
Calculated formula | C28 H32 Mn N3 O6 |
SMILES | [Mn]1(n2c(N3C=CN(c4c(C(C)C)cccc4C(C)C)C=13)cccc2=O)(C#[O])(C#[O])(C#[O])C#[O].C(OCC)C |
Title of publication | Mn<sup>I</sup> complex redox potential tunability by remote lewis acid interaction. |
Authors of publication | Srinivasan, Anandi; Campos, Jesús; Giraud, Nicolas; Robert, Marc; Rivada-Wheelaghan, Orestes |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2020 |
Journal volume | 49 |
Journal issue | 46 |
Pages of publication | 16623 - 16626 |
a | 18.495 ± 0.005 Å |
b | 18.495 ± 0.005 Å |
c | 17.89 ± 0.006 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 6120 ± 3 Å3 |
Cell temperature | 193 ± 2 K |
Ambient diffraction temperature | 193 ± 2 K |
Number of distinct elements | 5 |
Space group number | 92 |
Hermann-Mauguin space group symbol | P 41 21 2 |
Hall space group symbol | P 4abw 2nw |
Residual factor for all reflections | 0.1152 |
Residual factor for significantly intense reflections | 0.0709 |
Weighted residual factors for significantly intense reflections | 0.1593 |
Weighted residual factors for all reflections included in the refinement | 0.1881 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
260747 (current) | 2021-01-07 | cif/ Updating files of 7704935 Original log message: Adding full bibliography for 7704935.cif. |
7704935.cif |
254571 | 2020-07-25 | cif/ Adding structures of 7704935 via cif-deposit CGI script. |
7704935.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.