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Information card for entry 4000118
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 4000118.cif |
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Original paper (by DOI) | HTML |
Common name | Bis(dibenzoylmethanato)bis- (4-phenylpyridine)nickel(II), clathrate with benzene 1:4 |
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Chemical name | Bis(1,3-diphenyl-1,3-propanediono)bis(4-phenylpyridine)nickel(II), clathrate with benzene 1:4 |
Formula | C76 H64 N2 Ni O4 |
Calculated formula | C76.096 H64.096 N2 Ni O4 |
SMILES | c1ccccc1.c1ccccc1.c1ccccc1.c1ccc(cc1)C1=CC(=[O][Ni]2(O1)(OC(=CC(=[O]2)c1ccccc1)c1ccccc1)([n]1ccc(cc1)c1ccccc1)[n]1ccc(cc1)c1ccccc1)c1ccccc1 |
Journal of publication | Chemistry of Materials |
Year of publication | 2002 |
a | 11.565 ± 0.002 Å |
b | 12.354 ± 0.002 Å |
c | 13.205 ± 0.002 Å |
α | 110.34 ± 0.01° |
β | 94.32 ± 0.01° |
γ | 117.73 ± 0.01° |
Cell volume | 1500.6 ± 0.4 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0654 |
Residual factor for significantly intense reflections | 0.0389 |
Weighted residual factors for significantly intense reflections | 0.0902 |
Weighted residual factors for all reflections included in the refinement | 0.0963 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4000118.html
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