Crystallography Open Database

Information card for entry 4502554

Preview

Coordinates	4502554.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Cu(pyz)]2NbOF5
Formula	C8 H8 Cu2 F6 N4 Nb
Calculated formula	C8 H8 Cu2 F6 N4 Nb
Title of publication	Microporosity, Optical Bandgap Sizes, and Photocatalytic Activity of M(I)-Nb(V) (M = Cu, Ag) Oxyfluoride Hybrids
Authors of publication	Lin, Haisheng; Maggard, Paul A.
Journal of publication	Crystal Growth & Design
Year of publication	2010
Journal volume	10
Journal issue	3
Pages of publication	1323
a	6.6144 ± 0.0002 Å
b	7.0328 ± 0.0002 Å
c	13.3998 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	623.33 ± 0.03 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	71
Hermann-Mauguin space group symbol	I m m m
Hall space group symbol	-I 2 2
Residual factor for all reflections	0.024
Residual factor for significantly intense reflections	0.0211
Weighted residual factors for significantly intense reflections	0.0535
Weighted residual factors for all reflections included in the refinement	0.0562
Goodness-of-fit parameter for all reflections included in the refinement	1.086
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179556 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/25.	4502554.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4502554.cif
36475	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 4502554, 4502555, 4502556, 4502557, 4502558 via cif-deposit CGI script.	4502554.cif