Crystallography Open Database

Information card for entry 4500364

Preview

Coordinates	4500364.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H52 N12 Nb10 Ni3 O30
Calculated formula	C60 H48 N12 Nb10 Ni3 O30
Title of publication	Zero- or One-Dimensional Organic−Inorganic Hybrid Polyoxoniobates Constructed from Decaniobate Units and Transition-Metal Complexes
Authors of publication	Niu, Jingyang; Wang, Guan; Zhao, Junwei; Sui, Yunxia; Ma, Pengtao; Wang, Jingping
Journal of publication	Crystal Growth & Design
Year of publication	2011
Journal volume	11
Journal issue	4
Pages of publication	1253
a	24.25 ± 0.007 Å
b	18.765 ± 0.006 Å
c	17.72 ± 0.005 Å
α	90°
β	107.673 ± 0.004°
γ	90°
Cell volume	7683 ± 4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0263
Residual factor for significantly intense reflections	0.022
Weighted residual factors for significantly intense reflections	0.0595
Weighted residual factors for all reflections included in the refinement	0.0614
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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
179534 (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 4/50/03.	4500364.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4500364.cif
34469	2012-02-25	../uploads/cif-deposit/cod/cif Adding structures of 4500364, 4500365, 4500366, 4500367, 4500368 via cif-deposit CGI script.	4500364.cif