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Information card for entry 4131430
Preview
Coordinates | 4131430.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | (NacNacNMe2)Sc{NHB(NiPr)2C6H4}2 |
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Formula | C45 H71 B2 N9 Sc |
Calculated formula | C45 H71 B2 N9 Sc |
SMILES | [Sc]12(NB3N(c4c(N3C(C)C)cccc4)C(C)C)(NB3N(c4c(N3C(C)C)cccc4)C(C)C)[N](=C(C=C(N1CC[N]2(C)C)C)C)c1c(cccc1C(C)C)C(C)C |
Title of publication | New Scandium Borylimido Chemistry: Synthesis, Bonding, and Reactivity. |
Authors of publication | Clough, Benjamin A.; Mellino, Simona; Clot, Eric; Mountford, Philip |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2017 |
Journal volume | 139 |
Journal issue | 32 |
Pages of publication | 11165 - 11183 |
a | 14.2099 ± 0.0003 Å |
b | 18.1022 ± 0.0003 Å |
c | 24.359 ± 0.0005 Å |
α | 83.7821 ± 0.0015° |
β | 77.6045 ± 0.0017° |
γ | 80.4089 ± 0.0015° |
Cell volume | 6017.1 ± 0.2 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 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 | 0.0789 |
Residual factor for significantly intense reflections | 0.0655 |
Weighted residual factors for all reflections | 0.0977 |
Weighted residual factors for significantly intense reflections | 0.0784 |
Weighted residual factors for all reflections included in the refinement | 0.0756 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.0956 |
Diffraction radiation wavelength | 1.5418 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4131430.html
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Users of the data should acknowledge the original authors of the
structural data.