Crystallography Open Database

Information card for entry 4064934

Preview

Coordinates	4064934.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H29 O6 P Si2 W
Calculated formula	C27 H29 O6 P Si2 W
SMILES	C1(=O)C(=C(c2ccccc2)[P]1(C([Si](C)(C)C)[Si](C)(C)C)[W](C#[O])(C#[O])(C#[O])(C#[O])C#[O])c1ccccc1
Title of publication	First Examples of Spirooxaphosphirane Complexes
Authors of publication	Pérez, Janaina Marinas; Klein, Melina; Kyri, Andreas Wolfgang; Schnakenburg, Gregor; Streubel, Rainer
Journal of publication	Organometallics
Year of publication	2011
Journal volume	30
Journal issue	21
Pages of publication	5636
a	9.4702 ± 0.0004 Å
b	11.4948 ± 0.0005 Å
c	27.2741 ± 0.0012 Å
α	90°
β	97.782 ± 0.002°
γ	90°
Cell volume	2941.7 ± 0.2 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	6
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	0.0459
Residual factor for significantly intense reflections	0.0429
Weighted residual factors for significantly intense reflections	0.1049
Weighted residual factors for all reflections included in the refinement	0.1064
Goodness-of-fit parameter for all reflections included in the refinement	1.135
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
178543 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/49.	4064934.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4064934.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4064934.cif
33101	2012-02-11	../uploads/cif-deposit/cod/cif Adding structures of 4064932, 4064933, 4064934 via cif-deposit CGI script.	4064934.cif