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Information card for entry 4325813
Preview
Coordinates | 4325813.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C32 H50 N10 Ni2 O6 |
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Calculated formula | C32 H50 N10 Ni2 O6 |
SMILES | [Ni]123([N]([Ni]456([O](c7cccc(C=[N]2CC[N]23CCCCC2)c7[O]14)C)Oc1c(C=[N]6CC[N]25CCCCC2)cccc1OC)=N#N)([OH2])N=N#N.C(O)C |
Title of publication | Magnetic Exchange Interactions and Magneto-Structural Correlations in Heterobridged μ-Phenoxo-μ1,1-Azide Dinickel(II) Compounds: A Combined Experimental and Theoretical Exploration |
Authors of publication | Sujit Sasmal; Susanta Hazra; Parimal Kundu; Supriya Dutta; Gopalan Rajaraman; E. Carolina Sañudo; Sasankasekhar Mohanta |
Journal of publication | Inorganic Chemistry |
Year of publication | 2011 |
Journal volume | 50 |
Pages of publication | 7257 - 7267 |
a | 12.0237 ± 0.0004 Å |
b | 20.8688 ± 0.0006 Å |
c | 29.581 ± 0.0009 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 7422.5 ± 0.4 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0555 |
Residual factor for significantly intense reflections | 0.0333 |
Weighted residual factors for significantly intense reflections | 0.0942 |
Weighted residual factors for all reflections included in the refinement | 0.114 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.812 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4325813.html
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