Crystallography Open Database

Information card for entry 4337248

Preview

Coordinates	4337248.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(H2TMhpp)2[W2(¦Ì-O)2(¦Ì-TMhpp)2Cl4]
Formula	C46 H88 Cl8 N12 O2 W2
Calculated formula	C46 H88 Cl8 N12 O2 W2
Title of publication	A Strong Metal-to-Metal Interaction in an Edge-Sharing Bioctahedral Compound that Leads to a Very Short Tungsten-Tungsten Double Bond.
Authors of publication	Chiarella, Gina M.; Cotton, F. Albert; Murillo, Carlos A.; Zhao, Qinliang
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	4
Pages of publication	2288 - 2295
a	17.952 ± 0.007 Å
b	19.56 ± 0.007 Å
c	17.598 ± 0.007 Å
α	90°
β	90°
γ	90°
Cell volume	6179 ± 4 Å³
Cell temperature	213 ± 2 K
Ambient diffraction temperature	213 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1077
Residual factor for significantly intense reflections	0.0473
Weighted residual factors for significantly intense reflections	0.1088
Weighted residual factors for all reflections included in the refinement	0.1321
Goodness-of-fit parameter for all reflections included in the refinement	1.193
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179475 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/72.	4337248.cif
106238	2014-03-15	cif/ Adding structures of 4337248 via cif-deposit CGI script.	4337248.cif