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Information card for entry 4337971
Preview
Coordinates | 4337971.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C64 H69 Dy4 N23 O27 |
---|---|
Calculated formula | C64 H69 Dy4 N23 O27 |
SMILES | [Dy]1234567([O]([Dy]89%10%11%12%13([O]%14[Dy]%15%16%17%18%19([O](C)c%20cccc(c%14%20)C=[N]%12Nc%12[n]%13cccc%12)([O]([Dy]%12%13%14([O]2c2c([O]1C)cccc2C=[N]%13Nc1[n]%14cccc1)([O]8%15)([O]39)([O]4%10%16)[O]=N(=O)O%12)c1c(OC)cccc1C=[N]%18Nc1[n]%19cccc1)ON(=O)=[O]%17)[O]=N(=O)O%11)c1c(OC)cccc1C=[N]6Nc1[n]7cccc1)ON(=O)=[O]5.O=N(=O)[O-].O.N#CC.N#CC.N#CC.N#CC.N#CC.N#CC |
Title of publication | Tetranuclear Lanthanide(III) Complexes in a Seesaw Geometry: Synthesis, Structure, and Magnetism. |
Authors of publication | Goura, Joydeb; Walsh, James P. S.; Tuna, Floriana; Chandrasekhar, Vadapalli |
Journal of publication | Inorganic chemistry |
Year of publication | 2014 |
Journal volume | 53 |
Journal issue | 7 |
Pages of publication | 3385 |
a | 13.995 ± 0.005 Å |
b | 15.264 ± 0.005 Å |
c | 19.91 ± 0.005 Å |
α | 96.262 ± 0.005° |
β | 94.902 ± 0.005° |
γ | 111.33 ± 0.005° |
Cell volume | 3902 ± 2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0507 |
Residual factor for significantly intense reflections | 0.0321 |
Weighted residual factors for significantly intense reflections | 0.0681 |
Weighted residual factors for all reflections included in the refinement | 0.0747 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
Diffraction radiation wavelength | 0.71069 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/4337971.html
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Users of the data should acknowledge the original authors of the
structural data.