Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7013310
Preview
| Coordinates | 7013310.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C58 H62 B2 F8 Mo N4 O P4 |
|---|---|
| Calculated formula | C59.4 H50 B2 F8 Mo N4 O P4 |
| Title of publication | Syntheses and properties of hydride‒cyanamide and derived hydrogen-cyanamide complexes of molybdenum(IV). Crystal structure of [MoH2(NCNH2)2(Ph2PCH2CH2PPh2)2][BF4]2 |
| Authors of publication | Luísa M. D. R. S. Martins; Elisabete C. B. A. Alegria; David L. Hughes; João J. R. Fraústo da Silva; Armando J. L. Pombeiro |
| Journal of publication | Dalton Trans. |
| Year of publication | 2003 |
| Journal issue | 19 |
| Pages of publication | 3743 - 3750 |
| a | 32.62 ± 0.005 Å |
| b | 14.848 ± 0.002 Å |
| c | 12.44 ± 0.003 Å |
| α | 90° |
| β | 96.06 ± 0.02° |
| γ | 90° |
| Cell volume | 5991.5 ± 1.9 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/a 1 |
| Hall space group symbol | -P 2yab |
| Residual factor for all reflections | 0.1559 |
| Residual factor for significantly intense reflections | 0.094 |
| Weighted residual factors for significantly intense reflections | 0.2333 |
| Weighted residual factors for all reflections included in the refinement | 0.2903 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.089 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | Mo-Kα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 211332 (current) | 2018-10-05 | cif/ Fixing enumeration values for CIF data items _atom_sites_solution_* using cif_fix_values. Data item relocations and exclusion of CIF comment lines might have occurred due to the usage of cif_filter. |
7013310.cif |
| 179837 | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/33. |
7013310.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7013310.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7013310.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7013310.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.