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Information card for entry 1519434
Preview
Coordinates | 1519434.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C156 H132 Co4 F48 N24 P4.96 Sb3.04 |
---|---|
Calculated formula | C156 H132 Co4 F47.997 N24 P4.958 Sb3.042 |
SMILES | c1(ccc(cc1)C)[N]1=Cc2[n]3cc(cc2)c2c[n]4c(cc2)C=[N](c2ccc(cc2)C)[Co]2564[n]4c(ccc(c7ccc8[n]([Co]9%10%11([n]%12cc(c%13ccc%14[n](c%13)[Co]%1313([N](=C%14)c1ccc(cc1)C)[N](=Cc1ccc(c3c[n]%14c(cc3)C=[N]([Co]3%15%14([N](=Cc%14ccc(c[n]3%14)c3c[n]%10c(cc3)C=[N]%11c3ccc(cc3)C)c3ccc(C)cc3)[N](=Cc3[n]%15cc(c%10ccc(C=[N]6c6ccc(C)cc6)[n]5c%10)cc3)c3ccc(C)cc3)c3ccc(C)cc3)c[n]%131)c1ccc(cc1)C)ccc%12C=[N]9c1ccc(cc1)C)[N](=C8)c1ccc(cc1)C)c7)c4)C=[N]2c1ccc(cc1)C.[F-][Sb](F)(F)(F)(F)F.[F-][Sb](F)(F)(F)(F)F.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[F-][Sb](F)(F)(F)(F)F |
Title of publication | Mutual stabilisation between MII4L6tetrahedra and MIIX42−metallate guests |
Authors of publication | Riddell, Imogen A.; Ronson, Tanya K.; Nitschke, Jonathan R. |
Journal of publication | Chem. Sci. |
Year of publication | 2015 |
Journal volume | 6 |
Journal issue | 6 |
Pages of publication | 3533 |
a | 43.7451 ± 0.0007 Å |
b | 25.115 ± 0.0004 Å |
c | 39.7763 ± 0.001 Å |
α | 90° |
β | 100.245 ± 0.002° |
γ | 90° |
Cell volume | 43003.8 ± 1.5 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 7 |
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 | 0.115 |
Residual factor for significantly intense reflections | 0.1016 |
Weighted residual factors for significantly intense reflections | 0.2879 |
Weighted residual factors for all reflections included in the refinement | 0.3025 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.103 |
Diffraction radiation wavelength | 1.5418 Å |
Diffraction radiation type | CuKα |
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/1519434.html
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Users of the data should acknowledge the original authors of the
structural data.