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Information card for entry 7035192
Preview
Coordinates | 7035192.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C50 H70 Cl Mn4 N7 O17 S3 |
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Calculated formula | C50 H70 Cl Mn4 N7 O17 S3 |
SMILES | S(=O)(C)C.[O-]Cl(=O)(=O)=O.CS(=[O][Mn]1234[O](CC(C)([N]2=Cc2c(O3)cccc2)C)C)[Mn]2356([O]1[Mn]17([O]([Mn]89([O]2CC([N]6=Cc2c(O3)cccc2)(C)C)([N](=Cc2c(O8)cccc2)C(C)(C[O]49)C)N=N#N)CC([N]1=Cc1c(O7)cccc1)(C)C)([O])[O]5=S(C)C) |
Title of publication | Anion coordination selective [Mn3] and [Mn4] assemblies: synthesis, structural diversity, magnetic properties and catechol oxidase activity. |
Authors of publication | Pait, Moumita; Shatruk, Michael; Ray, Debashis |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2015 |
Journal volume | 44 |
Journal issue | 26 |
Pages of publication | 11741 - 11754 |
a | 11.922 ± 0.0009 Å |
b | 12.4025 ± 0.0009 Å |
c | 42.763 ± 0.003 Å |
α | 90° |
β | 96.768 ± 0.002° |
γ | 90° |
Cell volume | 6279 ± 0.8 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1482 |
Residual factor for significantly intense reflections | 0.0755 |
Weighted residual factors for significantly intense reflections | 0.1921 |
Weighted residual factors for all reflections included in the refinement | 0.2351 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
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/7035192.html
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Users of the data should acknowledge the original authors of the
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