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Information card for entry 1551156
Preview
Coordinates | 1551156.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C54 H75 B Mg N4 O2 |
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Calculated formula | C54 H75 B Mg N4 O2 |
SMILES | CC1=CC(=[N](c2c(cccc2C(C)C)C(C)C)[Mg]2(N1c1c(cccc1C(C)C)C(C)C)N(C(=N\c1c(cc(cc1C)C)C)\B1[O]2C(C(C)(C)O1)(C)C)c1c(cc(cc1C)C)C)C |
Title of publication | Snapshots of Magnesium-Centred Diborane Heterolysis by an Outer Sphere SN2 Process |
Authors of publication | Pecharman, Anne-Frederique; Hill, Michael; McMullon, Grace; McMullin, Claire; Mahon, Mary F. |
Journal of publication | Chemical Science |
Year of publication | 2019 |
a | 18.6101 ± 0.0002 Å |
b | 15.4868 ± 0.0002 Å |
c | 17.9575 ± 0.0002 Å |
α | 90° |
β | 103.065 ± 0.01° |
γ | 90° |
Cell volume | 5041.6 ± 0.2 Å3 |
Cell temperature | 291.55 ± 0.1 K |
Ambient diffraction temperature | 291.55 ± 0.1 K |
Number of distinct elements | 6 |
Space group number | 9 |
Hermann-Mauguin space group symbol | C 1 c 1 |
Hall space group symbol | C -2yc |
Residual factor for all reflections | 0.0402 |
Residual factor for significantly intense reflections | 0.0383 |
Weighted residual factors for significantly intense reflections | 0.1013 |
Weighted residual factors for all reflections included in the refinement | 0.1056 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
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/1551156.html
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