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Information card for entry 7113416
Preview
Coordinates | 7113416.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C50 H54 B F24 N6 Na |
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Calculated formula | C50 H54 B F24 N6 Na |
SMILES | [B-](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F.[N]12(C)CC[N]3([Na]451([N]1(CC[N]5(C)CC[N]4(C)CC1)C)[N](CC2)(CC3)C)C |
Title of publication | Unexpected neutral aza-macrocycle complexes of sodium |
Authors of publication | Matthew Everett; Andrew Jolleys; William Levason; David Pugh; Gillian Reid |
Journal of publication | Chem.Commun. |
Year of publication | 2014 |
Journal volume | 50 |
Pages of publication | 5843 |
a | 43.057 ± 0.002 Å |
b | 12.6237 ± 0.0006 Å |
c | 21.2793 ± 0.0015 Å |
α | 90° |
β | 100.93 ± 0.007° |
γ | 90° |
Cell volume | 11356.3 ± 1.1 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.1636 |
Residual factor for significantly intense reflections | 0.0917 |
Weighted residual factors for significantly intense reflections | 0.2346 |
Weighted residual factors for all reflections included in the refinement | 0.2706 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
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/7113416.html
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Users of the data should acknowledge the original authors of the
structural data.