Crystallography Open Database

Information card for entry 4502558

Preview

Coordinates	4502558.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H36 Cu2 F6 N4 Nb O8
Calculated formula	C24 H36 Cu2 F6 N4 Nb O8
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	17.2369 ± 0.0008 Å
b	35.5472 ± 0.0019 Å
c	9.9845 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	6117.7 ± 0.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	7
Space group number	70
Hermann-Mauguin space group symbol	F d d d :2
Hall space group symbol	-F 2uv 2vw
Residual factor for all reflections	0.0641
Residual factor for significantly intense reflections	0.044
Weighted residual factors for significantly intense reflections	0.085
Weighted residual factors for all reflections included in the refinement	0.0895
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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.	4502558.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4502558.cif
36475	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 4502554, 4502555, 4502556, 4502557, 4502558 via cif-deposit CGI script.	4502558.cif