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Information card for entry 7017090
Preview
Coordinates | 7017090.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C40 H54 B4 F16 Mo4 N14 O8 |
---|---|
Calculated formula | C40 H54 B4 F16 Mo4 N14 O8 |
SMILES | [B](F)(F)(F)[F-].[B](F)(F)(F)[F-].C12=[O][Mo]3([N]#CC)([N]#CC)OC(C4(CCC4)C4=[O][Mo]5([N]#CC)([N]#CC)OC(C62CCC6)=[O][Mo]5([N]#CC)([N]#CC)([N]#CC)O4)=[O][Mo]3([N]#CC)([N]#CC)O1.N#CC.N#CC.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].N#CC.N#CC.N#CC |
Title of publication | Dicarboxylate-bridged (Mo(2))(n) (n = 2, 3, 4) paddle-wheel complexes: potential intermediate building blocks for metal-organic frameworks. |
Authors of publication | Köberl, Mathias; Cokoja, Mirza; Bechlars, Bettina; Herdtweck, Eberhardt; Kühn, Fritz E |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 43 |
Pages of publication | 11490 - 11496 |
a | 10.6698 ± 0.0004 Å |
b | 10.7944 ± 0.0005 Å |
c | 15.1873 ± 0.0006 Å |
α | 89.095 ± 0.002° |
β | 86.007 ± 0.002° |
γ | 64.711 ± 0.002° |
Cell volume | 1577.52 ± 0.12 Å3 |
Cell temperature | 123 ± 2 K |
Ambient diffraction temperature | 123 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0238 |
Residual factor for significantly intense reflections | 0.0231 |
Weighted residual factors for significantly intense reflections | 0.0622 |
Weighted residual factors for all reflections included in the refinement | 0.0628 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
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/7017090.html
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Users of the data should acknowledge the original authors of the
structural data.