Crystallography Open Database

Information card for entry 7003300

Preview

Coordinates	7003300.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	pge0703
Formula	C9 H15 Mo O3 P3
Calculated formula	C9 H15 Mo O3 P3
SMILES	[Mo]([PH]1CC1)([PH]1CC1)([PH]1CC1)(C#[O])(C#[O])C#[O]
Title of publication	1-Trimethylsilylphosphirane as a ligand and as a stable masked reagent for phosphirane
Authors of publication	Tallis, Huw A.; Newman, Paul D.; Edwards, Peter G.; Ooi, Liling; Stasch, Andreas
Journal of publication	Dalton Transactions
Year of publication	2008
Journal issue	1
Pages of publication	47
a	12.587 ± 0.0004 Å
b	8.252 ± 0.0003 Å
c	13.873 ± 0.0006 Å
α	90°
β	92.499 ± 0.001°
γ	90°
Cell volume	1439.59 ± 0.09 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0543
Residual factor for significantly intense reflections	0.0434
Weighted residual factors for significantly intense reflections	0.0977
Weighted residual factors for all reflections included in the refinement	0.1027
Goodness-of-fit parameter for all reflections included in the refinement	1.082
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179737 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/33.	7003300.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7003300.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7003300.cif
1173	2010-05-16	cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing.	7003300.cif