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Information card for entry 1568937
Preview
Coordinates | 1568937.cif |
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Original paper (by DOI) | HTML |
Formula | C18 H24 Mo N4 O4 |
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Calculated formula | C18 H24 Mo N4 O4 |
SMILES | [Mo](C#[O])(C#[O])(C#[O])(C#[O])(=C1N(C)C(C)=C(N1C)C)=C1N(C)C(C)=C(N1C)C |
Title of publication | Molybdenum carbonyl assisted reductive tetramerization of CO by activated magnesium(i) compounds: squarate dianion <i>vs.</i> metallo-ketene formation. |
Authors of publication | Yuvaraj, K.; Mullins, Jeremy C.; Rajeshkumar, Thayalan; Douair, Iskander; Maron, Laurent; Jones, Cameron |
Journal of publication | Chemical science |
Year of publication | 2023 |
Journal volume | 14 |
Journal issue | 19 |
Pages of publication | 5188 - 5195 |
a | 16.1752 ± 0.0002 Å |
b | 8.3402 ± 0.0001 Å |
c | 16.1713 ± 0.0002 Å |
α | 90° |
β | 112.533 ± 0.001° |
γ | 90° |
Cell volume | 2015.04 ± 0.05 Å3 |
Cell temperature | 123 ± 2 K |
Ambient diffraction temperature | 123 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0243 |
Residual factor for significantly intense reflections | 0.0238 |
Weighted residual factors for significantly intense reflections | 0.0636 |
Weighted residual factors for all reflections included in the refinement | 0.064 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
284219 (current) | 2023-06-05 | cif/ Updating files of 1568937, 1568938, 1568939, 1568940, 1568941, 1568942, 1568943 Original log message: Adding full bibliography for 1568937--1568943.cif. |
1568937.cif |
282808 | 2023-04-25 | cif/ Adding structures of 1568937, 1568938, 1568939, 1568940, 1568941, 1568942, 1568943 via cif-deposit CGI script. |
1568937.cif |
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Users of the data should acknowledge the original authors of the
structural data.