Crystallography Open Database

Information card for entry 4109975

Preview

Coordinates	4109975.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C192 H432 N12 O89 W26 Zr2
Calculated formula	C192 H432 N12 O89 W26 Zr2
Title of publication	Synthesis and Reactivity of the Methoxozirconium Pentatungstate (nBu4N)6[{(μ-MeO)ZrW5O18}2]: Insights into Proton-Transfer Reactions, Solution Dynamics, and Assembly of {ZrW5O18}2- Building Blocks
Authors of publication	R. John Errington; Sagar S. Petkar; Paul S. Middleton; William McFarlane; William Clegg; Robert A. Coxall; Ross W. Harrington
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	12181 - 12196
a	17.5165 ± 0.0006 Å
b	17.6777 ± 0.0006 Å
c	24.2402 ± 0.0009 Å
α	74.861 ± 0.002°
β	70.185 ± 0.002°
γ	79.242 ± 0.002°
Cell volume	6776.6 ± 0.4 Å³
Cell temperature	160 ± 2 K
Ambient diffraction temperature	160 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0656
Residual factor for significantly intense reflections	0.0434
Weighted residual factors for significantly intense reflections	0.0935
Weighted residual factors for all reflections included in the refinement	0.1033
Goodness-of-fit parameter for all reflections included in the refinement	1.025
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
178845 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/99.	4109975.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109975.cif
58754	2012-05-30	cif/ Adding structures of 4109975 via cif-deposit CGI script.	4109975.cif