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Information card for entry 7017165
Preview
Coordinates | 7017165.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H24 Cl2 N6 Ni O8 |
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Calculated formula | C24 H24 Cl2 N6 Ni O8 |
SMILES | [n]12c(cccc1)c1[n]3[Ni]4562[n]2c(c7[n]4c(C[NH]6CC[NH]5Cc3ccc1)ccc7)cccc2.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O |
Title of publication | Factors influencing mononuclear versus multinuclear coordination in a series of potentially hexadentate acyclic N(6) ligands: the roles of flexibility and chelate ring size. |
Authors of publication | Hall, Nikita A.; Duboc, Carole; Collomb, Marie-Noëlle; Deronzier, Alain; Blackman, Allan G. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 45 |
Pages of publication | 12075 - 12082 |
a | 17.29 ± 0.004 Å |
b | 13.499 ± 0.003 Å |
c | 11.949 ± 0.002 Å |
α | 90° |
β | 110.331 ± 0.009° |
γ | 90° |
Cell volume | 2615.1 ± 1 Å3 |
Cell temperature | 89 ± 2 K |
Ambient diffraction temperature | 89 ± 2 K |
Number of distinct elements | 6 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.044 |
Residual factor for significantly intense reflections | 0.037 |
Weighted residual factors for significantly intense reflections | 0.0828 |
Weighted residual factors for all reflections included in the refinement | 0.087 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
Diffraction radiation wavelength | 0.71069 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/7017165.html
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