Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4072858
Preview
| Coordinates | 4072858.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H44 B Mo2 O2 P |
|---|---|
| Calculated formula | C30 H44 B Mo2 O2 P |
| SMILES | [Mo]123456789([PH]%10[Mo]%11%12%13%14(C#[O])([cH]%15[cH]%12[cH]%11[cH]%14[cH]%13%15)(C#[O])[H][BH2]%10)([c]%10([cH]5[c]1([cH]3[c]4([cH]2%10)C(C)(C)C)C(C)(C)C)C(C)(C)C)[cH]1[cH]7[cH]9[cH]8[cH]61 |
| Title of publication | Formation of P–H, P–C, and C–H Bonds by Hydride Attack on a Electrophilic Phosphide-Bridged Dimolybdenum Complex. Trapping the Phosphinidene Ligand with Borane |
| Authors of publication | Amor, Inmaculada; García-Vivó, Daniel; García, M. Esther; Ruiz, Miguel A.; Sáez, David; Hamidov, Hayrullo; Jeffery, John C. |
| Journal of publication | Organometallics |
| Year of publication | 2007 |
| Journal volume | 26 |
| Journal issue | 3 |
| Pages of publication | 466 - 468 |
| a | 11.3514 ± 0.0005 Å |
| b | 17.7124 ± 0.0008 Å |
| c | 29.7652 ± 0.0014 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5984.6 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0394 |
| Residual factor for significantly intense reflections | 0.0342 |
| Weighted residual factors for significantly intense reflections | 0.0784 |
| Weighted residual factors for all reflections included in the refinement | 0.0815 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.983 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 288091 (current) | 2023-12-06 | cod/ Corrected misspelt data names in multiple entries using the 'cif_correct_tags' program and a data names replacement file from cod-tools revision 9822. This change affected only the misspelt variants of the '_diffrn_measurement_specimen_support' data name. |
4072858.cif |
| 210318 | 2018-09-01 | cif/4/ Updating bibliography in entries 4072858, 4082253. Marking entry 4082253 as a duplicate of entry 4072858. |
4072858.cif |
| 178617 | 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 4/07/28. |
4072858.cif |
| 130086 | 2015-01-23 | cod/ (robertas@burundukas) The 'cif_fix_values' program was applied to CIFs that have generated the validation messages containing tag '_exptl_crystal_density_meas'. 16946 CIFs had a values that were perceived as 'not measured' and they were changed to '?'. The total of 17089 CIFs was changed. Those that were not corrected by 'cif_fix_values' were reformatted by the parser (e.g. a doi tag was moved to another place). The processing command was: mysql -u cod_reader -h www.crystallography.net cod -e \ 'select distinct codid from validation \ where message like \ "%tag%_exptl_crystal_density_meas'\''%"' -NB \ | xargs -i sh -c 'cif_fix_values {} \ | cif_filter --add-cif-header {} \ | sponge {}' |
4072858.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4072858.cif |
| 88562 | 2013-09-27 | smi/4 Adding SMILES for boron-containing compounds. |
4072858.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4072858.cif |
| 46035 | 2012-03-21 | ../uploads/cif-deposit/cod/cif Adding structures of 4072858 via cif-deposit CGI script. |
4072858.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.