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Information card for entry 4071961
Preview
| Coordinates | 4071961.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C70 H86 Ag4 F12 N12 O4 P2 |
|---|---|
| Calculated formula | C70 H86 Ag4 F12 N12 O4 P2 |
| SMILES | c1c2CN3C(N(C=C3)c3c(cc(cc3C)C)C)=[Ag][n]3c4cc5CN6C(=[Ag][n](c1CN1C(N(C=C1)c1c(C)cc(cc1C)C)=[Ag]n35)n2[Ag]=C1N(C4)C=CN1c1c(cc(cc1C)C)C)N(C=C6)c1c(cc(cc1C)C)C.[P](F)(F)(F)(F)(F)[F-].O=C(C)C.O=C(C)C.[P](F)(F)(F)(F)(F)[F-].O=C(C)C.O=C(C)C |
| Title of publication | Combining Pyrazolate and N-Heterocyclic Carbene Coordination Motifs: Synthesis and Characterization of a Double-Crowned Silver Complex |
| Authors of publication | Scheele, Ulrich J.; Georgiou, Maria; John, Michael; Dechert, Sebastian; Meyer, Franc |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 19 |
| Pages of publication | 5146 |
| a | 12.5681 ± 0.0005 Å |
| b | 12.9967 ± 0.0005 Å |
| c | 14.3012 ± 0.0006 Å |
| α | 63.361 ± 0.003° |
| β | 68.893 ± 0.003° |
| γ | 80.629 ± 0.003° |
| Cell volume | 1947.95 ± 0.15 Å3 |
| Cell temperature | 133 ± 2 K |
| Ambient diffraction temperature | 133 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0347 |
| Residual factor for significantly intense reflections | 0.0288 |
| Weighted residual factors for significantly intense reflections | 0.0722 |
| Weighted residual factors for all reflections included in the refinement | 0.0745 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178608 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/19. |
4071961.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4071961.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4071961.cif |
| 44147 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4071960, 4071961 via cif-deposit CGI script. |
4071961.cif |
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Users of the data should acknowledge the original authors of the
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