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Information card for entry 4071685
Preview
| Coordinates | 4071685.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C64 H63 Mo N O4 |
|---|---|
| Calculated formula | C64 H63 Mo N O4 |
| Title of publication | Carboxylate-Based Molybdenum Alkylidene Catalysts: Synthesis, Characterization, and Use as Initiators for 1,6-Heptadiyne Cyclopolymerizations |
| Authors of publication | Schrock, Richard R.; Tonzetich, Zachary J.; Lichtscheidl, Alejandro G.; Müller, Peter; Schattenmann, Florian J. |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 15 |
| Pages of publication | 3986 |
| a | 12.194 ± 0.006 Å |
| b | 12.241 ± 0.006 Å |
| c | 20.29 ± 0.011 Å |
| α | 88.751 ± 0.009° |
| β | 76.586 ± 0.009° |
| γ | 66.079 ± 0.009° |
| Cell volume | 2684 ± 2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0441 |
| Residual factor for significantly intense reflections | 0.0342 |
| Weighted residual factors for significantly intense reflections | 0.0804 |
| Weighted residual factors for all reflections included in the refinement | 0.086 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178605 (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 4/07/16. |
4071685.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4071685.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4071685.cif |
| 43979 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4071684, 4071685 via cif-deposit CGI script. |
4071685.cif |
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Users of the data should acknowledge the original authors of the
structural data.