Crystallography Open Database

Information card for entry 4323786

Preview

Coordinates	4323786.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H32 Cu F10 N6 Nb2 O2
Calculated formula	C32 H32 Cu F10 N8 Nb2 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	11.408 ± 0.003 Å
b	11.408 ± 0.003 Å
c	30.36 ± 0.01 Å
α	90°
β	90°
γ	90°
Cell volume	3951 ± 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 significantly intense reflections	0.043
Weighted residual factors for significantly intense reflections	0.044
Goodness-of-fit parameter for significantly intense reflections	2.424
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
179340 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/37.	4323786.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4323786.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4323786.cif
24035	2011-08-12	../uploads/cif-deposit/cod/cif Adding structures of 4323786 via cif-deposit CGI script.	4323786.cif