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Information card for entry 4337972
Preview
Coordinates | 4337972.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C54 H51 Ho4 N18 O28 |
---|---|
Calculated formula | C54 H51 Ho4 N18 O28 |
SMILES | [Ho]1234567([O]8[Ho]9%10%11%12%13([O]([Ho]%14%15%16%17([O]%18[Ho]%19%20%21([O](C)c%22cccc(c%18%22)C=[N]%16[N]c%16[n]%17cccc%16)([O]1c1c(C=[N]%20[N]c%16[n]%21cccc%16)cccc1OC)([O]2%14)ON(=[O]%19)=O)([O]39)([O]4%10)ON(=[O]%15)=O)c1c(OC)cccc1C=[N]%12Nc1[n]%13cccc1)([O](C)c1cccc(c81)C=[N]6Nc1[n]7cccc1)ON(=[O]%11)=O)[O]=N(=O)O5.O=N(=O)[O-].O.O.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 | 14.239 ± 0.005 Å |
b | 14.396 ± 0.005 Å |
c | 21.642 ± 0.005 Å |
α | 99.618 ± 0.005° |
β | 104.751 ± 0.005° |
γ | 108.128 ± 0.005° |
Cell volume | 3928 ± 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 | 0.1475 |
Residual factor for significantly intense reflections | 0.128 |
Weighted residual factors for significantly intense reflections | 0.3487 |
Weighted residual factors for all reflections included in the refinement | 0.3583 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
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/4337972.html
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Users of the data should acknowledge the original authors of the
structural data.