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Information card for entry 7207743
Preview
Coordinates | 7207743.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C36 H62 Fe N3 O19 P6 |
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Calculated formula | C36 H60 Fe N3 O19 P6 |
SMILES | C1(C#N)=P2(O[Fe]34([O]=P51OCC(CO5)(C)C)([O]=P1(C(C#N)=P5(O3)OCC(CO5)(C)C)OCC(CO1)(C)C)[O]=P1(C(C#N)=P3(O4)OCC(CO3)(C)C)OCC(CO1)(C)C)OCC(CO2)(C)C.O |
Title of publication | Cyanomethylene-bis(phosphonate) as ditopical ligand: stepwise formation of a 2-D heterometallic Fe(iii)‒Ag(i) coordination network |
Authors of publication | Maxim, Catalin; Branzea, Diana; Allain, Magali; Andruh, Marius; Clérac, Rodolphe; Iorga, Bogdan I.; Avarvari, Narcis |
Journal of publication | CrystEngComm |
Year of publication | 2012 |
Journal volume | 14 |
Journal issue | 9 |
Pages of publication | 3096 |
a | 22.9238 ± 0.0017 Å |
b | 22.9238 ± 0.0017 Å |
c | 22.9238 ± 0.0017 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 12046.5 ± 1.5 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 205 |
Hermann-Mauguin space group symbol | P a -3 |
Hall space group symbol | -P 2ac 2ab 3 |
Residual factor for all reflections | 0.1708 |
Residual factor for significantly intense reflections | 0.0678 |
Weighted residual factors for significantly intense reflections | 0.166 |
Weighted residual factors for all reflections included in the refinement | 0.2085 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.82 |
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/7207743.html
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Users of the data should acknowledge the original authors of the
structural data.