Crystallography Open Database

Information card for entry 4323785

Preview

Coordinates	4323785.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H20 Cu F5 N4 Nb O
Calculated formula	C20 H20 Cu F6 N4 Nb O2
Title of publication	Composition Space of the (CuO,1/2Nb~2~O~5~)/(HF)~x~.pyridine/H~2~O System. Structure and Synthesis of [pyH^+^]~2-~[CuNb~2~(py)~4~O~2~F~10~]^2+^ and CuNb(py)~4~OF~5~
Authors of publication	Paramasivan Halasyamani; Michael J. Willis; Charlotte L. Stern; Paul M. Lundquist; George K. Wong; Kenneth R. Poeppelmeier
Journal of publication	Inorganic Chemistry
Year of publication	1996
Journal volume	35
Pages of publication	1367 - 1371
a	10.561 ± 0.003 Å
b	13.546 ± 0.006 Å
c	16.103 ± 0.004 Å
α	90°
β	97.77 ± 0.02°
γ	90°
Cell volume	2282.5 ± 1.3 Å³
Cell temperature	173.2 K
Ambient diffraction temperature	173.2 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	0.0264
Weighted residual factors for significantly intense reflections	0.0377
Goodness-of-fit parameter for significantly intense reflections	0.757
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.	4323785.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4323785.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4323785.cif
24034	2011-08-12	../uploads/cif-deposit/cod/cif Adding structures of 4323785 via cif-deposit CGI script.	4323785.cif