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Information card for entry 7029992
Preview
Coordinates | 7029992.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C28 H36 Co2 N12 S4 |
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Calculated formula | C28 H36 Co2 N12 S4 |
SMILES | CNC1=N[N]2[Co]3([N](N=C(NC)S3)=C(C)c3cccc(C(C)=[N]4N=C(NC)S[Co]54[N](N=C(NC)S5)=C(c4cccc(C=2C)c4)C)c3)S1 |
Title of publication | Metal self-recognition: a pathway to control the formation of dihelicates and mesocates. |
Authors of publication | Martínez-Calvo, Miguel; Romero, María J; Pedrido, Rosa; González-Noya, Ana M; Zaragoza, Guillermo; Bermejo, Manuel R. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2012 |
Journal volume | 41 |
Journal issue | 43 |
Pages of publication | 13395 - 13404 |
a | 14.4792 ± 0.0013 Å |
b | 15.5345 ± 0.0014 Å |
c | 15.9289 ± 0.0015 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3582.8 ± 0.6 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.1303 |
Residual factor for significantly intense reflections | 0.0759 |
Weighted residual factors for significantly intense reflections | 0.176 |
Weighted residual factors for all reflections included in the refinement | 0.1979 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.7107 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/7029992.html
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Users of the data should acknowledge the original authors of the
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