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Information card for entry 4108839
Preview
Coordinates | 4108839.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C54 H60 Co2 N24 |
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Calculated formula | C54 H60 Co2 N24 |
SMILES | C1(c2ccc(C3=[NH+]CCCN3)cc2)=[NH+]CCCN1.C1(=[NH+]CCCN1)c1ccc(C2=[NH+]CCCN2)cc1.[NH+]1=C(NCCC1)c1ccc(C2=[NH+]CCCN2)cc1.N#C[Co](C#N)(C#N)(C#N)(C#N)C#N.N#C[Co](C#N)(C#N)(C#N)(C#N)C#N |
Title of publication | Molecular Tectonics: Control of Reversible Water Release in Porous Charge-Assisted H-Bonded Networks |
Authors of publication | Pierre Dechambenoit; Sylvie Ferlay; Nathalie Kyritsakas; Mir Wais Hosseini |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2008 |
Journal volume | 130 |
Pages of publication | 17106 - 17113 |
a | 7.2141 ± 0.0004 Å |
b | 12.1497 ± 0.0008 Å |
c | 17.2052 ± 0.0013 Å |
α | 84.582 ± 0.004° |
β | 88.96 ± 0.004° |
γ | 84.052 ± 0.004° |
Cell volume | 1493.15 ± 0.17 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1379 |
Residual factor for significantly intense reflections | 0.068 |
Weighted residual factors for significantly intense reflections | 0.1604 |
Weighted residual factors for all reflections included in the refinement | 0.1918 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/4108839.html
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Users of the data should acknowledge the original authors of the
structural data.