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Information card for entry 7042004
Preview
Coordinates | 7042004.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | TD45 |
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Formula | C26 H42 Au F6 N6 O8 P |
Calculated formula | C26 H42 Au F6 N6 O8 P |
SMILES | [Au](=C1N(C=CN1C)CCOC(=O)CNC(=O)OC(C)(C)C)=C1N(C=CN1C)CCOC(=O)CNC(=O)OC(C)(C)C.[P](F)(F)(F)(F)(F)[F-] |
Title of publication | Synthesis of hydroxyl-functionalized N-heterocyclic carbene gold(i) complexes and peptide conjugates. |
Authors of publication | Diehl, Tobias; Krause, Melanie T. S.; Ueberlein, Sven; Becker, Stefanie; Trommer, Aline; Schnakenburg, Gregor; Engeser, Marianne |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2017 |
Journal volume | 46 |
Journal issue | 9 |
Pages of publication | 2988 - 2997 |
a | 12.3278 ± 0.0006 Å |
b | 9.1978 ± 0.0004 Å |
c | 32.2351 ± 0.0014 Å |
α | 90° |
β | 90.654 ± 0.003° |
γ | 90° |
Cell volume | 3654.9 ± 0.3 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100.01 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1198 |
Residual factor for significantly intense reflections | 0.1095 |
Weighted residual factors for significantly intense reflections | 0.2425 |
Weighted residual factors for all reflections included in the refinement | 0.248 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.242 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7042004.html
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