Crystallography Open Database

Information card for entry 4322596

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Coordinates	4322596.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H32 Cu F8 Mo2 N6 O4
Calculated formula	C30 H32 Cu F8 Mo2 N6 O4
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	19.195 ± 0.004 Å
b	11.316 ± 0.003 Å
c	18.92 ± 0.005 Å
α	90°
β	107.68 ± 0.02°
γ	90°
Cell volume	3915.5 ± 1.7 Å³
Cell temperature	153.2 K
Ambient diffraction temperature	153.2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for significantly intense reflections	0.0237
Weighted residual factors for significantly intense reflections	0.0274
Goodness-of-fit parameter for significantly intense reflections	2.224
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4322596.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4322596.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4322596.cif
21458	2011-06-22	../uploads/cif-deposit/cod/cif Adding structures of 4322596 via cif-deposit CGI script.	4322596.cif