Crystallography Open Database

Information card for entry 4064129

Preview

Coordinates	4064129.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H12 N2 O15 P2 W3
Calculated formula	C25 H12 N2 O15 P2 W3
SMILES	[W](C#[O])(C#[O])(C#[O])(C#[O])(C#[O])[P]1([W](C#[O])(C#[O])(C#[O])(C#[O])(C#[O])[P]1([W](C#[O])(C#[O])(C#[O])(C#[O])C#[O])c1cccn1C)c1cccn1C
Title of publication	Oligomerization of Terminal Phosphinidene Complexes
Authors of publication	Tran Huy, Ngoc Hoa; Lu, Yunpeng; Mathey, François
Journal of publication	Organometallics
Year of publication	2011
Journal volume	30
Journal issue	6
Pages of publication	1734
a	11.8633 ± 0.0005 Å
b	21.0617 ± 0.0008 Å
c	12.605 ± 0.0005 Å
α	90°
β	92.847 ± 0.002°
γ	90°
Cell volume	3145.6 ± 0.2 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 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	0.0503
Residual factor for significantly intense reflections	0.0366
Weighted residual factors for significantly intense reflections	0.0954
Weighted residual factors for all reflections included in the refinement	0.1203
Goodness-of-fit parameter for all reflections included in the refinement	1.188
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
178535 (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 4/06/41.	4064129.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4064129.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4064129.cif
32793	2012-02-10	../uploads/cif-deposit/cod/cif Adding structures of 4064129 via cif-deposit CGI script.	4064129.cif