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Information card for entry 7101858
Preview
Coordinates | 7101858.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C86 H80 N6 Na2 Zn2 |
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Calculated formula | C86 H80 N6 Na2 Zn2 |
SMILES | C(=[N]12[Zn]3([N]4(=C(c5ccccc5)c5ccccc5)[Zn]5([N](=C(c6ccccc6)c6ccccc6)([Na]14[NH]=C(c1ccccc1)c1ccccc1)[Na]2([N]35=C(c1ccccc1)c1ccccc1)[NH]=C(c1ccccc1)c1ccccc1)CCCC)CCCC)(c1ccccc1)c1ccccc1 |
Title of publication | Structural variations in bimetallic sodium-magnesium and sodium-zinc ketimides, and a sodium-zinc alkide-alkoxide-amide: connections to ring-stacking, ring-laddering, and inverse crown concepts. |
Authors of publication | Clegg, William; Dale, Sophie H; Graham, David V; Harrington, Ross W; Hevia, Eva; Hogg, Lorna M; Kennedy, Alan R; Mulvey, Robert E |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2007 |
Journal issue | 16 |
Pages of publication | 1641 - 1643 |
a | 13.2031 ± 0.0012 Å |
b | 27.339 ± 0.003 Å |
c | 20.0914 ± 0.0018 Å |
α | 90° |
β | 92.909 ± 0.002° |
γ | 90° |
Cell volume | 7242.8 ± 1.1 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 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 | 0.0881 |
Residual factor for significantly intense reflections | 0.078 |
Weighted residual factors for significantly intense reflections | 0.1809 |
Weighted residual factors for all reflections included in the refinement | 0.185 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.328 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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