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Information card for entry 4080722
Preview
Coordinates | 4080722.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C84 H128 K2 N6 Ni2 O6 |
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Calculated formula | C84 H128 K2 N6 Ni2 O6 |
SMILES | C1(C(=[N]([Ni]([N]=1c1c(C(C)C)cccc1C(C)C)[n]1c2ccccc2[n](c2ccccc12)[Ni]1[N](=C(C(C)=[N]1c1c(cccc1C(C)C)C(C)C)C)c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)C)C.[K]1[O](C)CC[O]1C.O(CC)CC.[K]1[O](C)CC[O]1C.O(CC)CC |
Title of publication | Nickel Complexes with Two Types of Noninnocent Ligands: α-Diimine and Phenazine |
Authors of publication | Dong, Qingsong; Su, Ji-Hu; Gong, Shida; Li, Qian-Shu; Zhao, Yanxia; Wu, Biao; Yang, Xiao-Juan |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 9 |
Pages of publication | 2866 |
a | 10.7791 ± 0.0017 Å |
b | 13.479 ± 0.002 Å |
c | 15.832 ± 0.002 Å |
α | 94.52 ± 0.002° |
β | 107.634 ± 0.002° |
γ | 102.176 ± 0.002° |
Cell volume | 2117.6 ± 0.5 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0608 |
Residual factor for significantly intense reflections | 0.0509 |
Weighted residual factors for significantly intense reflections | 0.1483 |
Weighted residual factors for all reflections included in the refinement | 0.1662 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
Diffraction radiation wavelength | 0.71073 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/4080722.html
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Users of the data should acknowledge the original authors of the
structural data.