Crystallography Open Database

Information card for entry 4500365

Preview

Coordinates	4500365.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C70 H73 N14 Nb10 Ni3 O36.5
Calculated formula	C70 H56 N14 Nb10 Ni3 O36.5
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	14.139 ± 0.003 Å
b	14.16 ± 0.003 Å
c	24.201 ± 0.005 Å
α	80.884 ± 0.003°
β	89.686 ± 0.003°
γ	89.727 ± 0.003°
Cell volume	4783.9 ± 1.7 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0553
Residual factor for significantly intense reflections	0.0384
Weighted residual factors for significantly intense reflections	0.1031
Weighted residual factors for all reflections included in the refinement	0.1102
Goodness-of-fit parameter for all reflections included in the refinement	1.065
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.	4500365.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4500365.cif
34469	2012-02-25	../uploads/cif-deposit/cod/cif Adding structures of 4500364, 4500365, 4500366, 4500367, 4500368 via cif-deposit CGI script.	4500365.cif