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Information card for entry 7114869
Preview
Coordinates | 7114869.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C92 H121 Cl19 N12 Ni6 |
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Calculated formula | C92 H121 Cl19 N12 Ni6 |
SMILES | [Ni]12345[Cl]6[Ni]789([Cl]1)[Cl][Ni]1%106([Cl]2)[Cl]2637[Ni]37%11([Cl][Ni]%12%132([Cl][Ni]26([N](=Cc6[n]2n1c(c6)C=[N]%10c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)([Cl]3)[Cl]7%12)[n]1n8c(cc1C=[N]%13c1c(cccc1C(C)C)C(C)C)C=[N]9c1c(cccc1C(C)C)C(C)C)[n]1n4c(cc1C=[N]%11c1c(cccc1C(C)C)C(C)C)C=[N]5c1c(cccc1C(C)C)C(C)C.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl |
Title of publication | An unusual hexanickel cage complex with µ- and µ3-chloro bridges and an interstitial µ6-chloride |
Authors of publication | Röder, Jens C.; Meyer, Franc; Pritzkow, Hans |
Journal of publication | Chemical Communications |
Year of publication | 2001 |
Journal issue | 21 |
Pages of publication | 2176 |
a | 14.699 ± 0.01 Å |
b | 34.114 ± 0.015 Å |
c | 22.346 ± 0.017 Å |
α | 90° |
β | 107.01 ± 0.04° |
γ | 90° |
Cell volume | 10715 ± 12 Å3 |
Cell temperature | 190 ± 2 K |
Ambient diffraction temperature | 190 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.1193 |
Residual factor for significantly intense reflections | 0.0803 |
Weighted residual factors for significantly intense reflections | 0.214 |
Weighted residual factors for all reflections included in the refinement | 0.2547 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
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/7114869.html
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