Crystallography Open Database

Information card for entry 4314813

Preview

Coordinates	4314813.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H0 Cl4 O39 P16 W4
Calculated formula	C43 Cl4 O43 P15.49 W4
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	11.112 ± 0.006 Å
b	19.464 ± 0.01 Å
c	27.235 ± 0.013 Å
α	90°
β	113.44 ± 0.018°
γ	90°
Cell volume	5404 ± 5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	7
Hermann-Mauguin space group symbol	P 1 c 1
Hall space group symbol	P -2yc
Residual factor for all reflections	0.1073
Residual factor for significantly intense reflections	0.0971
Weighted residual factors for significantly intense reflections	0.2375
Weighted residual factors for all reflections included in the refinement	0.2453
Goodness-of-fit parameter for all reflections included in the refinement	1.126
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
179228 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/48.	4314813.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4314813.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4314813.cif
7956	2011-02-03	../uploads/cif-deposit/cod/cif Adding structures of 4314813 via cif-deposit CGI script.	4314813.cif