Crystallography Open Database

Information card for entry 4314812

Preview

Coordinates	4314812.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28.5 H69.25 Cl8 P8 W2
Calculated formula	C28.61 H69.22 Cl8 P8 W2
Title of publication	Synthesis, Structures, Bonding, and Redox Chemistry of Ditungsten Butadiyne Complexes with W\τbC-C\τbW Backbones
Authors of publication	Jibin Sun; Sarah E. Shaner; Marya K. Jones; Daniel C. O'Hanlon; Jeffrey S. Mugridge; Michael D. Hopkins
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	1687 - 1698
a	15.733 ± 0.003 Å
b	16.348 ± 0.003 Å
c	19.759 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	5082.1 ± 1.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0404
Residual factor for significantly intense reflections	0.0376
Weighted residual factors for significantly intense reflections	0.0862
Weighted residual factors for all reflections included in the refinement	0.0878
Goodness-of-fit parameter for all reflections included in the refinement	1.016
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4314812.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4314812.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4314812.cif
7955	2011-02-03	../uploads/cif-deposit/cod/cif Adding structures of 4314812 via cif-deposit CGI script.	4314812.cif