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Information card for entry 7108697
Preview
Coordinates | 7108697.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C56 H96 Cl2 Mn6 N4 O30 P8 |
---|---|
Calculated formula | C56 H96 Cl2 Mn6 N4 O30 P8 |
SMILES | [Mn]123([O]=P4(O[Mn]56([OH2])[O]=P7(O[Mn]8([O]=P(O6)(O3)C(C)(C)C)([O]=P3(O[Mn]6([O]=P9(O[Mn]([O]=P(O5)(O6)C(C)(C)C)(O4)([O]=P(O1)(O[Mn]([OH2])(O9)([O]=P(O2)(O8)C(C)(C)C)O3)C(C)(C)C)[n]1ccc(cc1)C=O)C(C)(C)C)(O7)[n]1ccc(C=O)cc1)C(C)(C)C)[n]1ccc(cc1)C=O)C(C)(C)C)C(C)(C)C)[n]1ccc(C=O)cc1.[Cl-].[Cl-] |
Title of publication | Supramolecular approaches to metal-organic gels using Chevrel-type coordination clusters as building units |
Authors of publication | Lei Zhang; Bartosz Marzec; Rodolphe Clerac; Yanhui Chen; Hongzhou Zhang; Wolfgang Schmitt |
Journal of publication | Chem.Commun. |
Year of publication | 2013 |
Journal volume | 49 |
Pages of publication | 66 |
a | 52.51 ± 0.02 Å |
b | 15.806 ± 0.003 Å |
c | 23.396 ± 0.005 Å |
α | 90° |
β | 116.45 ± 0.02° |
γ | 90° |
Cell volume | 17385 ± 9 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 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 | 0.1201 |
Residual factor for significantly intense reflections | 0.0747 |
Weighted residual factors for significantly intense reflections | 0.1842 |
Weighted residual factors for all reflections included in the refinement | 0.1989 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
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/7108697.html
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Users of the data should acknowledge the original authors of the
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