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Information card for entry 7015944
Preview
Coordinates | 7015944.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | NiFe |
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Formula | C22 H42 Fe3 N10 Ni2 O7 S4 |
Calculated formula | C22 H42 Fe3 N10 Ni2 O7 S4 |
SMILES | [Ni]123[S]45[Fe]([S]6[Ni]78[S]([Fe]4(N=O)N=O)([Fe]([S]1CC[N]13CCC[N]2(CC1)CC5)(N=O)N=O)CC[N]18CC[N]7(CCC1)CC6)(N=O)N=O.O1CCCC1 |
Title of publication | cis-Dithiolatonickel as metalloligand to dinitrosyl iron units: the di-metallic structure of Ni(μ-SR)[Fe(NO)(2)] and an unexpected, abbreviated metalloadamantyl cluster, Ni(2)(μ-SR)(4)[Fe(NO)(2)](3). |
Authors of publication | Hsieh, Chung-Hung; Chupik, Rachel B.; Brothers, Scott M.; Hall, Michael B.; Darensbourg, Marcetta Y. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 22 |
Pages of publication | 6047 - 6053 |
a | 10.205 ± 0.002 Å |
b | 20.135 ± 0.004 Å |
c | 35.578 ± 0.008 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 7310 ± 3 Å3 |
Cell temperature | 110 ± 2 K |
Ambient diffraction temperature | 110 ± 2 K |
Number of distinct elements | 7 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.1365 |
Residual factor for significantly intense reflections | 0.0966 |
Weighted residual factors for significantly intense reflections | 0.1883 |
Weighted residual factors for all reflections included in the refinement | 0.2057 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.157 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7015944.html
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Users of the data should acknowledge the original authors of the
structural data.