Crystallography Open Database

Information card for entry 4502556

Preview

Coordinates	4502556.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Cu(bpy)NbOF4.2H2O
Formula	C10 H12 Cu F4 N2 Nb O3
Calculated formula	C10 H12 Cu F4 N2 Nb O3
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	16.5122 ± 0.0007 Å
b	21.6214 ± 0.0007 Å
c	3.8322 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	1368.16 ± 0.08 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	7
Space group number	67
Hermann-Mauguin space group symbol	C m m a
Hall space group symbol	-C 2a 2
Residual factor for all reflections	0.0448
Residual factor for significantly intense reflections	0.0394
Weighted residual factors for significantly intense reflections	0.113
Weighted residual factors for all reflections included in the refinement	0.1182
Goodness-of-fit parameter for all reflections included in the refinement	1.125
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4502556.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4502556.cif
36475	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 4502554, 4502555, 4502556, 4502557, 4502558 via cif-deposit CGI script.	4502556.cif