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Information card for entry 4082925
Preview
Coordinates | 4082925.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Compound 5 |
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Formula | C16 H11 Mn N4 O3 |
Calculated formula | C16 H11 Mn N4 O3 |
SMILES | [Mn]1234([c]5([cH]1[cH]2[cH]3[cH]45)n1nnc(c1)c1cc(N)ccc1)(C#[O])(C#[O])C#[O] |
Title of publication | Cymantrene‒Triazole “Click” Products: Structural Characterization and Electrochemical Properties |
Authors of publication | Day, David P.; Dann, Thomas; Hughes, David. L.; Oganesyan, Vasily S.; Steverding, Dietmar; Wildgoose, Gregory G. |
Journal of publication | Organometallics |
Year of publication | 2014 |
Journal volume | 33 |
Journal issue | 18 |
Pages of publication | 4687 |
a | 5.8394 ± 0.0003 Å |
b | 9.7556 ± 0.0005 Å |
c | 13.9033 ± 0.0008 Å |
α | 106.742 ± 0.005° |
β | 94.508 ± 0.004° |
γ | 102.614 ± 0.004° |
Cell volume | 731.61 ± 0.07 Å3 |
Cell temperature | 140 ± 2 K |
Ambient diffraction temperature | 140 ± 1 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0577 |
Residual factor for significantly intense reflections | 0.0484 |
Weighted residual factors for significantly intense reflections | 0.1175 |
Weighted residual factors for all reflections included in the refinement | 0.1206 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.172 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | Mo-Kα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4082925.html
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