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Information card for entry 7127779
Preview
Coordinates | 7127779.cif |
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Original paper (by DOI) | HTML |
Formula | C20 H14 Br Cl Mn N3 O4 |
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Calculated formula | C20 H14 Br Cl Mn N3 O4 |
SMILES | Br[Mn]1([O]=C2C(Cl)=CC(=Nc3ccc(N(C)C)cc3)c3ccc[n]1c23)(C#[O])(C#[O])C#[O] |
Title of publication | CO release from Mn(i)-based photoCORMs with single photons in the phototherapeutic region. |
Authors of publication | Stenger-Smith, Jenny; Chakraborty, Indranil; Ouattara, Ramatoulaye; Sameera, W. M. C.; Rue, Kelly; Mascharak, Pradip |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2021 |
Journal volume | 57 |
Journal issue | 9 |
Pages of publication | 1101 - 1104 |
a | 7.6931 ± 0.0007 Å |
b | 17.523 ± 0.0015 Å |
c | 30.345 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4090.7 ± 0.7 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 K |
Number of distinct elements | 7 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P c a b |
Hall space group symbol | -P 2bc 2ac |
Residual factor for all reflections | 0.1397 |
Residual factor for significantly intense reflections | 0.0796 |
Weighted residual factors for significantly intense reflections | 0.1429 |
Weighted residual factors for all reflections included in the refinement | 0.1625 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.121 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
261563 (current) | 2021-02-05 | cif/ Updating files of 7127779, 7127780 Original log message: Adding full bibliography for 7127779--7127780.cif. |
7127779.cif |
260839 | 2021-01-08 | cif/ Adding structures of 7127779, 7127780 via cif-deposit CGI script. |
7127779.cif |
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Users of the data should acknowledge the original authors of the
structural data.