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Information card for entry 7007888
Preview
Coordinates | 7007888.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C86 H139 Al2 Li9 N12 |
---|---|
Calculated formula | C86 H139 Al2 Li9 N12 |
SMILES | c1cccc2[n]31[Li]1[N]4(c5cccc[n]65[Li]5[N]1(c1[n]7(cccc1)[Li]3[n]13c([N]8(C9CCCCC9)[Li]9[n]%10(ccccc%10[N]5(C5CCCCC5)[Li]78)[Li]6[n]56ccccc6[N]9(C6CCCCC6)[Li]3[N]2([Li]45)C2CCCCC2)cccc1)C1CCCCC1)C1CCCCC1.[Li]12([CH3][Al](C(C)(C)C)(C(C)(C)C)[CH3]1)[CH3][Al](C(C)(C)C)(C(C)(C)C)[CH3]2 |
Title of publication | Encapsulation of hydride by molecular main group metal clusters: manipulating the source and coordination sphere of the interstitial ion. |
Authors of publication | Boss, Sally R.; Coles, Martyn P.; Eyre-Brook, Vicki; García, Felipe; Haigh, Robert; Hitchcock, Peter B.; McPartlin, Mary; Morey, James V.; Naka, Hiroshi; Raithby, Paul R.; Sparkes, Hazel A.; Tate, Christopher W.; Wheatley, Andrew E. H. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2006 |
Journal issue | 47 |
Pages of publication | 5574 - 5582 |
a | 32.584 ± 0.007 Å |
b | 18.681 ± 0.004 Å |
c | 16.545 ± 0.003 Å |
α | 90° |
β | 105.96 ± 0.03° |
γ | 90° |
Cell volume | 9683 ± 4 Å3 |
Cell temperature | 180 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
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 | 0.1082 |
Residual factor for significantly intense reflections | 0.0731 |
Weighted residual factors for significantly intense reflections | 0.195 |
Weighted residual factors for all reflections included in the refinement | 0.2195 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.077 |
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/7007888.html
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