Crystallography Open Database

Information card for entry 4501694

Preview

Coordinates	4501694.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H66 Cu4 N12 Nb6 O28
Calculated formula	C28 H48 Cu4 N12 Nb6 O28
Title of publication	Two-Dimensional Polyoxoniobates Constructed from Lindqvist-Type Hexaniobates Functionalized by Mixed Ligands
Authors of publication	Niu, Jingyang; Fu, Xiao; Zhao, Junwei; Li, Suzhi; Ma, Pengtao; Wang, Jingping
Journal of publication	Crystal Growth & Design
Year of publication	2010
Journal volume	10
Journal issue	7
Pages of publication	3110
a	30.869 ± 0.0015 Å
b	13.7091 ± 0.0006 Å
c	14.6688 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	6207.6 ± 0.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	58
Hermann-Mauguin space group symbol	P n n m
Hall space group symbol	-P 2 2n
Residual factor for all reflections	0.0526
Residual factor for significantly intense reflections	0.0465
Weighted residual factors for significantly intense reflections	0.131
Weighted residual factors for all reflections included in the refinement	0.1343
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
179547 (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 4/50/16.	4501694.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4501694.cif
36041	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 4501694 via cif-deposit CGI script.	4501694.cif