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Information card for entry 7042095
Preview
Coordinates | 7042095.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C100 H66 As3 Co N20 O |
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Calculated formula | C100 H66 As3 Co N20 O |
SMILES | c1ccc(cc1)[As+](c1ccccc1)(c1ccccc1)c1ccccc1.c1(C#N)c(C#N)nc2c(c3c(c4c2nc(C#N)c(C#N)n4)nc(C#N)c(C#N)n3)n1.c1ccc(cc1)[As+](c1ccccc1)(c1ccccc1)c1ccccc1.c1ccccc1[As+](c1ccccc1)(c1ccccc1)c1ccccc1.C(#N)[Co](C#N)(C#N)(C#N)(C#N)C#N.CC#N.CC#N.O |
Title of publication | Anion-π recognition between [M(CN)6](3-) complexes and HAT(CN)6: structural matching and electronic charge density modification. |
Authors of publication | Kobylarczyk, Jedrzej; Pinkowicz, Dawid; Srebro-Hooper, Monika; Hooper, James; Podgajny, Robert |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2017 |
Journal volume | 46 |
Journal issue | 11 |
Pages of publication | 3482 - 3491 |
a | 20.9033 ± 0.0007 Å |
b | 27.5801 ± 0.0011 Å |
c | 17.7843 ± 0.001 Å |
α | 90° |
β | 122.388 ± 0.002° |
γ | 90° |
Cell volume | 8658 ± 0.7 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 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 | 0.0502 |
Residual factor for significantly intense reflections | 0.0375 |
Weighted residual factors for significantly intense reflections | 0.0651 |
Weighted residual factors for all reflections included in the refinement | 0.0689 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
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/7042095.html
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Users of the data should acknowledge the original authors of the
structural data.