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Information card for entry 7226074
Preview
Coordinates | 7226074.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | [Na3Cr6]-(2) |
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Chemical name | complex 2 |
Formula | C96 H88 Cr6 N12 Na2 O30 |
Calculated formula | C96 H78 Cr6 N12 Na2 O30 |
SMILES | c1ccccc1C1=[N]2O[Cr]3456[N](O[Cr]789([N](O[Cr]2([O]37)([O]=CO9)(Oc2c1cccc2)[O]=CO6)=C(c1ccccc1)c1ccccc1O8)[O]=CO5)=C(c1ccccc1)c1ccccc1O4.N#CC.[Na]([OH2])([N]#CC)[N]#CC.O |
Title of publication | Solvothermal Synthesis of Discrete Cages and Extended Networks Comprising {Cr(III)3O(O2CR)3(oxime)3}2- (R = H, CH3, C(CH3)3, C14H9) Building Blocks. |
Authors of publication | Jones, Leigh Fon; Comar, Priyanka; Pitak, Mateusz; Coles, Simon; G. Ryder, Alan; Piligkos, Stergios; Brechin, Euan K.; Houton, Edel |
Journal of publication | RSC Adv. |
Year of publication | 2016 |
a | 17.8061 ± 0.0018 Å |
b | 12.4863 ± 0.0014 Å |
c | 22.4726 ± 0.0018 Å |
α | 90° |
β | 91.553 ± 0.009° |
γ | 90° |
Cell volume | 4994.5 ± 0.9 Å3 |
Cell temperature | 193 ± 0.9 K |
Ambient diffraction temperature | 193 ± 0.9 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.2046 |
Residual factor for significantly intense reflections | 0.0967 |
Weighted residual factors for significantly intense reflections | 0.2249 |
Weighted residual factors for all reflections included in the refinement | 0.302 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
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/7226074.html
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structural data.