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Information card for entry 7018898
Preview
Coordinates | 7018898.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | [Pt{4'-(Ph)trpy}(NCS)]SbF6.(CH3)2CO |
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Chemical name | This is a crystal of [Pt{4'-(Ph)trpy}(NCS)]SbF6.(CH3)2CO obtained directly by crystallisation from an acetone solution of 1. |
Formula | C25 H21 F6 N4 O Pt S Sb |
Calculated formula | C25 H21 F6 N4 O Pt S Sb |
SMILES | [Pt]12([n]3ccccc3c3cc(cc([n]13)c1[n]2cccc1)c1ccccc1)N=C=S.[Sb](F)(F)(F)(F)([F-])F.O=C(C)C |
Title of publication | Sorption of small molecule vapours by single crystals of [Pt{4'-(Ph)trpy}(NCS)]SbF(6) where trpy = 2,2':6',2''-terpyridine: a porous material with a structure stabilised by extended π-π interactions. |
Authors of publication | Field, John S.; Munro, Orde Q.; Waldron, Bradley P. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2012 |
Journal volume | 41 |
Journal issue | 18 |
Pages of publication | 5486 - 5496 |
a | 9.7859 ± 0.0003 Å |
b | 25.3897 ± 0.0008 Å |
c | 10.9182 ± 0.0004 Å |
α | 90° |
β | 98.355 ± 0.003° |
γ | 90° |
Cell volume | 2683.96 ± 0.15 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 8 |
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 | 0.0878 |
Residual factor for significantly intense reflections | 0.0865 |
Weighted residual factors for significantly intense reflections | 0.1639 |
Weighted residual factors for all reflections included in the refinement | 0.1643 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.532 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7018898.html
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