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Information card for entry 7016172
Preview
Coordinates | 7016172.cif |
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Original paper (by DOI) | HTML |
Common name | 1528 (Cu(NHC)(SPN-Ph))SbF6.((CH3)2CO) at 100K |
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Formula | C47 H57 Cu F6 N4 O P S Sb |
Calculated formula | C47 H57 Cu F6 N4 O P S Sb |
SMILES | [Cu]1([S]=P(Nc2[n]1cccc2)(c1ccccc1)c1ccccc1)=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C.[Sb](F)(F)(F)(F)([F-])F.O=C(C)C |
Title of publication | Tri- and tetracoordinate copper(i) complexes bearing bidentate soft/hard SN and SeN ligands based on 2-aminopyridine. |
Authors of publication | Oztopcu, Ozgür; Mereiter, Kurt; Puchberger, Michael; Kirchner, Karl A. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 26 |
Pages of publication | 7008 - 7021 |
a | 12.8052 ± 0.0005 Å |
b | 28.015 ± 0.0012 Å |
c | 13.2949 ± 0.0006 Å |
α | 90° |
β | 92.056 ± 0.002° |
γ | 90° |
Cell volume | 4766.3 ± 0.4 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 9 |
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 | 0.0535 |
Residual factor for significantly intense reflections | 0.0427 |
Weighted residual factors for significantly intense reflections | 0.0975 |
Weighted residual factors for all reflections included in the refinement | 0.1034 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
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/7016172.html
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