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Information card for entry 4301099
Preview
Coordinates | 4301099.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C74 H76 K Mn2 N4 O13 |
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Calculated formula | C70 H68 K Mn2 N4 O12 |
SMILES | [Mn]123([n]4c([c]53[c]2(C1(c1ccccc1)c1ccccc1)cccc5)c1[n]([Mn]23(C#[O])(C#[O])(C#[O])C(c5ccccc5)(c5ccccc5)[c]52[c]13cccc5)c1c4cccc1)(C#[O])(C#[O])C#[O].[K]1234567[O]8CC[N]96CC[O]3CC[O]2CC[N]7(CC[O]1CC8)CC[O]5CC[O]4CC9 |
Title of publication | Stable and Highly Persistent Quinoxaline-Centered Metalloorganic Radical Anions: Preparation, Structural, Spectroscopic, and Computational Investigations |
Authors of publication | Sylvie Choua; Jean-Pierre Djukic; Jérôme Dalléry; André Bieber; Richard Welter; Jean-Paul Gisselbrecht; Philippe Turek; Louis Ricard |
Journal of publication | Inorganic Chemistry |
Year of publication | 2009 |
Journal volume | 48 |
Pages of publication | 149 - 163 |
a | 13.659 ± 0.001 Å |
b | 15.838 ± 0.001 Å |
c | 17.601 ± 0.001 Å |
α | 65.824 ± 0.001° |
β | 84.832 ± 0.001° |
γ | 75.635 ± 0.001° |
Cell volume | 3364.8 ± 0.4 Å3 |
Cell temperature | 150 ± 0.1 K |
Ambient diffraction temperature | 150 ± 0.1 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0568 |
Residual factor for significantly intense reflections | 0.0421 |
Weighted residual factors for significantly intense reflections | 0.1253 |
Weighted residual factors for all reflections included in the refinement | 0.1337 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.087 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/4301099.html
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Users of the data should acknowledge the original authors of the
structural data.