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Information card for entry 1566985
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Coordinates | 1566985.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C77 H100 Fe Mg2 N4 O5 |
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Calculated formula | C77 H100 Fe Mg2 N4 O5 |
Title of publication | Magnesium-stabilised transition metal formyl complexes: structures, bonding, and ethenediolate formation. |
Authors of publication | Parr, Joseph M.; White, Andrew J. P.; Crimmin, Mark R. |
Journal of publication | Chemical science |
Year of publication | 2022 |
Journal volume | 13 |
Journal issue | 22 |
Pages of publication | 6592 - 6598 |
a | 13.3957 ± 0.001 Å |
b | 13.4353 ± 0.0008 Å |
c | 22.6744 ± 0.0008 Å |
α | 99.136 ± 0.004° |
β | 97.078 ± 0.004° |
γ | 112.627 ± 0.006° |
Cell volume | 3642.1 ± 0.4 Å3 |
Cell temperature | 173 ± 0.14 K |
Ambient diffraction temperature | 173 ± 0.14 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 | 0.127 |
Residual factor for significantly intense reflections | 0.098 |
Weighted residual factors for significantly intense reflections | 0.3006 |
Weighted residual factors for all reflections included in the refinement | 0.3168 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.116 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1566985.html
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structural data.