Crystallography Open Database

Information card for entry 7007573

Preview

Coordinates	7007573.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H6 O14 P2 W3
Calculated formula	C18 H6 O14 P2 W3
SMILES	[W]([P]12C3([P]4([W](C#[O])(C#[O])(C#[O])(C#[O])C#[O])[W]13(C24C)(C#[O])(C#[O])(C#[O])C#[O])C)(C#[O])(C#[O])(C#[O])(C#[O])C#[O]
Title of publication	The first complexes and cyclodimerisations of methylphosphaalkyne (P[triple bond]CMe).
Authors of publication	Jones, Cameron; Schulten, Christian; Stasch, Andreas
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2006
Journal issue	31
Pages of publication	3733 - 3735
a	16.082 ± 0.003 Å
b	12.237 ± 0.002 Å
c	28.575 ± 0.006 Å
α	90°
β	106.02 ± 0.03°
γ	90°
Cell volume	5405 ± 1.9 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/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0859
Residual factor for significantly intense reflections	0.063
Weighted residual factors for significantly intense reflections	0.1385
Weighted residual factors for all reflections included in the refinement	0.1469
Goodness-of-fit parameter for all reflections included in the refinement	1.133
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
179779 (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 7/00/75.	7007573.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7007573.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7007573.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7007573.cif