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Information card for entry 4105900
Preview
Coordinates | 4105900.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C40 H46 Ho2 N8 O14 |
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Calculated formula | C40 H46 Ho2 N8 O14 |
SMILES | C1[N]2=Cc3c(c(ccc3)OC)[O]3[Ho]4562([NH](C1)CC[N]4=Cc1c(O5)c(OC)ccc1)(ON(=[O]6)=O)[O]1c2c(cccc2C=[N]2CC[NH]4CC[N]5=Cc6c(O[Ho]731245ON(=[O]7)=O)c(OC)ccc6)OC |
Title of publication | Single-Molecule Magnet Behavior for an Antiferromagnetically Superexchange-Coupled Dinuclear Dysprosium(III) Complex |
Authors of publication | Jérôme Long; Fatemah Habib; Po-Heng Lin; Ilia Korobkov; Gary Enright; Liviu Ungur; Wolfgang Wernsdorfer; Liviu F. Chibotaru; Muralee Murugesu |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2011 |
Journal volume | 133 |
Pages of publication | 5319 - 5328 |
a | 10.5104 ± 0.0004 Å |
b | 10.5297 ± 0.0004 Å |
c | 11.4828 ± 0.0004 Å |
α | 66.414 ± 0.002° |
β | 65.126 ± 0.001° |
γ | 79.981 ± 0.002° |
Cell volume | 1056.59 ± 0.07 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 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 | 0.0131 |
Residual factor for significantly intense reflections | 0.013 |
Weighted residual factors for significantly intense reflections | 0.0346 |
Weighted residual factors for all reflections included in the refinement | 0.0347 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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Users of the data should acknowledge the original authors of the
structural data.