Crystallography Open Database

Information card for entry 4501693

Preview

Coordinates	4501693.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H71 Cu4 N12 Nb6 O30.5
Calculated formula	C32 H32 Cu4 N12 Nb6 O30.5
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	31.045 ± 0.002 Å
b	13.9893 ± 0.0011 Å
c	14.4513 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	6276.2 ± 0.8 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	6
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.0338
Residual factor for significantly intense reflections	0.0286
Weighted residual factors for significantly intense reflections	0.0717
Weighted residual factors for all reflections included in the refinement	0.0737
Goodness-of-fit parameter for all reflections included in the refinement	1.077
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4501693.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4501693.cif
36040	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 4501693 via cif-deposit CGI script.	4501693.cif