Crystallography Open Database

Information card for entry 4322595

Preview

Coordinates	4322595.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H32 Cu F12 N6 Zr2
Calculated formula	C44 H20 Cu F12 N20 Zr2
Title of publication	[pyH]2[Cu(py)4(MX6)2] (MX6= ZrF62-, NbOF52-, MoO2F42-; py = Pyridine): Rarely Observed Ordering of Metal Oxide Fluoride Anions
Authors of publication	Kevin R. Heier; Alexander J. Norquist; Christopher G. Wilson; Charlotte L. Stern; Kenneth R. Poeppelmeier
Journal of publication	Inorganic Chemistry
Year of publication	1998
Journal volume	37
Pages of publication	76 - 80
a	11.047 ± 0.001 Å
b	11.047 ± 0.001 Å
c	16.763 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	2045.7 ± 0.5 Å³
Cell temperature	426.4 K
Ambient diffraction temperature	426.4 K
Number of distinct elements	6
Space group number	139
Hermann-Mauguin space group symbol	I 4/m m m
Hall space group symbol	-I 4 2
Residual factor for significantly intense reflections	0.0314
Weighted residual factors for significantly intense reflections	0.0342
Goodness-of-fit parameter for significantly intense reflections	2.204
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKalpha
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.	4322595.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4322595.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4322595.cif
21457	2011-06-22	../uploads/cif-deposit/cod/cif Adding structures of 4322595 via cif-deposit CGI script.	4322595.cif