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Information card for entry 4068948
Preview
Coordinates | 4068948.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C51 H47 F12 N5 P3 Pd |
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Calculated formula | C51 H47 F12 N5 P3 Pd |
Title of publication | Mercury Complexes of N-Heterocyclic Carbenes Derived from Imidazolium-Linked Cyclophanes: Synthesis, Structure, and Reactivity |
Authors of publication | Baker, Murray V.; Brown, David H.; Haque, Rosenani A.; Simpson, Peter V.; Skelton, Brian W.; White, Allan H.; Williams, Charlotte C. |
Journal of publication | Organometallics |
Year of publication | 2009 |
Journal volume | 28 |
Journal issue | 13 |
Pages of publication | 3793 |
a | 13.9214 ± 0.0011 Å |
b | 13.9678 ± 0.0011 Å |
c | 14.8556 ± 0.0011 Å |
α | 72.928 ± 0.002° |
β | 72.06 ± 0.002° |
γ | 64.827 ± 0.002° |
Cell volume | 2442.5 ± 0.3 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0611 |
Residual factor for significantly intense reflections | 0.0412 |
Weighted residual factors for significantly intense reflections | 0.108 |
Weighted residual factors for all reflections included in the refinement | 0.1271 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.864 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
4068948.cif |
91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4068948.cif |
40054 | 2012-03-07 | ../uploads/cif-deposit/cod/cif Adding structures of 4068943, 4068944, 4068945, 4068946, 4068947, 4068948 via cif-deposit CGI script. |
4068948.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.