Crystallography Open Database

Information card for entry 4071149

Preview

Coordinates	4071149.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H21 O6 P W
Calculated formula	C22 H21 O6 P W
SMILES	C1(c2ccccc2)O[P]1(C1(C(=C(C(=C1C)C)C)C)C)[W](C#[O])(C#[O])(C#[O])(C#[O])C#[O]
Title of publication	Synthesis of Novel O,P,C-Cage Complexes via Thermal C−O Ring Opening of an Oxaphosphirane W(CO)5Complex
Authors of publication	Bode, Maren; Schnakenburg, Gregor; Jones, Peter G.; Streubel, Rainer
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	11
Pages of publication	2664
a	9.488 ± 0.0005 Å
b	10.33 ± 0.0004 Å
c	13.083 ± 0.0006 Å
α	101.576 ± 0.002°
β	109.73 ± 0.002°
γ	103.089 ± 0.002°
Cell volume	1120.65 ± 0.09 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0296
Residual factor for significantly intense reflections	0.0256
Weighted residual factors for significantly intense reflections	0.0596
Weighted residual factors for all reflections included in the refinement	0.0609
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation wavelength	0.71073 Å
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178600 (current)	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 4/07/11.	4071149.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4071149.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4071149.cif
43066	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4071149 via cif-deposit CGI script.	4071149.cif