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Information card for entry 4107824
Preview
Coordinates | 4107824.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C73 H32 Fe N4 O3 Pd5 S50 |
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Calculated formula | C73 H32 Fe N4 O3 Pd5 S50 |
SMILES | [Pd]12(SC3SC(=S)SC=3S1)SC1SC(=S)SC=1S2.[Pd]12(SC3SC(=S)SC=3S1)SC1SC(=S)SC=1S2.[Pd]12(SC3SC(=S)SC=3S1)SC1SC(=S)SC=1S2.[Pd]12(SC3SC(=S)SC=3S1)SC1SC(=S)SC=1S2.[Pd]12(SC3SC(=S)SC=3S1)SC1SC(=S)SC=1S2.[Fe]1234(Oc5ccc6ccccc6c5C=[N]1c1cccc5c1[n]2ccc5)Oc1ccc2ccccc2c1C=[N]3c1cccc2c1[n]4ccc2.O=C(C)C |
Title of publication | Evidence of the Chemical Uniaxial Strain Effect on Electrical Conductivity in the Spin-Crossover Conducting Molecular System: [FeIII(qnal)2][Pd(dmit)2]5.Acetone |
Authors of publication | Kazuyuki Takahashi; Heng-Bo Cui; Yoshinori Okano; Hayao Kobayashi; Hatsumi Mori; Hiroyuki Tajima; Yasuaki Einaga; Osamu Sato |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2008 |
Journal volume | 130 |
Pages of publication | 6688 - 6689 |
a | 13.573 ± 0.007 Å |
b | 15.573 ± 0.008 Å |
c | 24.912 ± 0.011 Å |
α | 96.599 ± 0.01° |
β | 97.03 ± 0.01° |
γ | 106.056 ± 0.011° |
Cell volume | 4961 ± 4 Å3 |
Cell temperature | 105.1 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for significantly intense reflections | 0.098 |
Weighted residual factors for all reflections included in the refinement | 0.2961 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.08 |
Diffraction radiation wavelength | 0.7107 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/4107824.html
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