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Information card for entry 7103825
Preview
Coordinates | 7103825.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C13 H26 Mn N O5 P2 |
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Calculated formula | C13 H26 Mn N O5 P2 |
SMILES | [Mn]([P](C)(C)C)(P(=O)(C)C)(C#[N]C(C)(C)C)(C#[O])(C#[O])C#[O].O |
Title of publication | P-C versus C-H bond cleavage in coordinated bis(dimethylphosphino)methane: Controlled access to either phosphinite or functionalized diphosphine complexes |
Authors of publication | Javier Ruiz; M Rosario Diaz; Santiago Garcia-granda; Roberto Quesada; Victor Riera |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2003 |
a | 10.526 ± 0.002 Å |
b | 14.563 ± 0.01 Å |
c | 14.59 ± 0.03 Å |
α | 108.43 ± 0.08° |
β | 98.34 ± 0.1° |
γ | 98.58 ± 0.07° |
Cell volume | 2054 ± 5 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1052 |
Residual factor for significantly intense reflections | 0.0438 |
Weighted residual factors for significantly intense reflections | 0.1103 |
Weighted residual factors for all reflections included in the refinement | 0.1344 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
193992 (current) | 2017-03-06 | cif/7/10/38/ (antanas@echidna.ibt.lt) Replacing data name '_geom_contact_atom_site_label_1' with '_geom_hbond_atom_site_label_A' to match all the other data items within the loop in entry 7103825. |
7103825.cif |
193981 | 2017-03-05 | cod/ (antanas@kurmis) Correcting misspelt data item names by using the 'cod_correct_tags' script and the replacement file 'data/replacement-values/replacement_tags.lst' from the cod-tools repository (rev. 5006). The correction was mainly focused on removing misspelt versions of the '_geom_*' data items. |
7103825.cif |
180141 | 2016-03-26 | cif/7/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/10/38. |
7103825.cif |
120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7103825.cif |
35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7103825.cif |
5312 | 2011-01-03 | cif/ Adding files, updated with the 'cif_fix_enum' program and the cif_core.dic dictionary. The enumerator values were fixed, mostly incorrect case, but also some values that had extra underscores, dashes or spaces. Unfortunately, 22 had non-ASCII characters with the 8-th bit set, and these got incorrectly interpreted as latin1 characters and converted to their UTF8 equivalents by Perl. To fix the structures, however, they need to be redeposited from the original files with the new CIFParser/cif_filter version. |
7103825.cif |
966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
7103825.cif |
823 | 2009-09-25 | cif/ Depositing information from the Chem-Comm-2003_01-17 and J-Org-Chem-2007_13-20 publications. |
7103825.cif |
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