Crystallography Open Database

Information card for entry 4321799

Preview

Coordinates	4321799.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H32 Cu F8 N6 O4 W2
Calculated formula	C28 H18 Cu0.25 F7 N4 O3 W
Title of publication	The Polar [WO2F4]2- Anion in the Solid State
Authors of publication	Kevin R. Heier; Alexander J. Norquist; P. Shiv Halasyamani; Angel Duarte; Charlotte L. Stern; Kenneth R. Poeppelmeier
Journal of publication	Inorganic Chemistry
Year of publication	1999
Journal volume	38
Pages of publication	762 - 767
a	11.339 ± 0.002 Å
b	11.339 ± 0.002 Å
c	30.489 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	3920.1 ± 1.2 Å³
Cell temperature	153.2 K
Ambient diffraction temperature	153.2 K
Number of distinct elements	7
Space group number	98
Hermann-Mauguin space group symbol	I 41 2 2
Hall space group symbol	I 4bw 2bw
Residual factor for all reflections	0.0364
Residual factor for significantly intense reflections	0.036
Weighted residual factors for all reflections	0.029
Weighted residual factors for all reflections included in the refinement	0.029
Goodness-of-fit parameter for all reflections	1.461
Goodness-of-fit parameter for all reflections included in the refinement	1.46
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
134363 (current)	2015-03-25	cif/ (antanas@echidna.ibt.lt) Reordering '_atom_site' loop tags in 8 CIFs in order to resolve errors dealing with '_atom_site_refinement_flags' tag values ('Uani', 'Uiso' values being assigned to this tag instead of '_atom_site_adp_type' tag).	4321799.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4321799.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4321799.cif
19610	2011-05-21	../uploads/cif-deposit/cod/cif Adding structures of 4321799 via cif-deposit CGI script.	4321799.cif