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Information card for entry 4313442
Preview
Coordinates | 4313442.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C44 H42 Cl2 N12 Ni3 O |
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Calculated formula | C44 H42 Cl2 N12 Ni3 O |
SMILES | [Ni]12345[Ni]678([n]9c(N2c2[n]([Ni]1([n]1c(N3c3[n]6cccc3)cccc1)([n]1c(N4c3[n]7cccc3)cccc1)([n]1c(N5c3[n]8cccc3)cccc1)Cl)cccc2)cccc9)Cl.CCOCC |
Title of publication | Oxidation of Ni3(dpa)4Cl2 and Cu3(dpa)4Cl2: Nickel-Nickel Bonding Interaction, but No Copper-Copper Bonds |
Authors of publication | John F. Berry; F. Albert Cotton; Lee M. Daniels; Carlos A. Murillo; Xiaoping Wang |
Journal of publication | Inorganic Chemistry |
Year of publication | 2003 |
Journal volume | 42 |
Pages of publication | 2418 - 2427 |
a | 15.9531 ± 0.0011 Å |
b | 15.7795 ± 0.0008 Å |
c | 17.1082 ± 0.0005 Å |
α | 90° |
β | 97.365 ± 0.005° |
γ | 90° |
Cell volume | 4271.1 ± 0.4 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1049 |
Residual factor for significantly intense reflections | 0.0808 |
Weighted residual factors for all reflections | 0.2296 |
Weighted residual factors for significantly intense reflections | 0.2028 |
Goodness-of-fit parameter for all reflections | 1.124 |
Goodness-of-fit parameter for significantly intense reflections | 1.132 |
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/4313442.html
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