Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4070696
Preview
Coordinates | 4070696.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C32 H44 F6 Mo N7 P |
---|---|
Calculated formula | C32 H44 F6 Mo N7 P |
SMILES | [Mo]1234567([N](CC[N]1=c1n(c(c(n1C)C)C)C)=c1n(c(c(n1C)C)C)C)(C1[CH]2=[CH]3[CH]4=[CH]5[CH]6=[CH]71)C#[N]c1c(cccc1C)C.[P](F)(F)(F)(F)(F)[F-] |
Title of publication | Synthesis and Reactivity of 16-Electron Cycloheptatrienyl-Molybdenum(0) Complexes with Bis(imidazolin-2-imine) Ligands |
Authors of publication | Petrovic, Dejan; Hrib, Cristian G.; Randoll, Sören; Jones, Peter G.; Tamm, Matthias |
Journal of publication | Organometallics |
Year of publication | 2008 |
Journal volume | 27 |
Journal issue | 4 |
Pages of publication | 778 |
a | 8.009 ± 0.0006 Å |
b | 27.588 ± 0.002 Å |
c | 15.9818 ± 0.0012 Å |
α | 90° |
β | 100.119 ± 0.002° |
γ | 90° |
Cell volume | 3476.3 ± 0.4 Å3 |
Cell temperature | 133 ± 2 K |
Ambient diffraction temperature | 133 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0891 |
Residual factor for significantly intense reflections | 0.0528 |
Weighted residual factors for significantly intense reflections | 0.1218 |
Weighted residual factors for all reflections included in the refinement | 0.1428 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
178595 (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 4/07/06. |
4070696.cif |
120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4070696.cif |
47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4070696.cif |
42647 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4070692, 4070693, 4070694, 4070695, 4070696, 4070697 via cif-deposit CGI script. |
4070696.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.