Crystallography Open Database

Information card for entry 4505490

Preview

Coordinates	4505490.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H161 Cu5 Er2 K N28 O173 Si4 W44
Calculated formula	C28 H112 Cu5 Er2 K N28 O173 Si4 W44
Title of publication	Organic‒Inorganic Hybrids Based on Monovacant Keggin-type Silicotungstates and 3d-4f Heterometals
Authors of publication	Zhang, Shaowei; Zhao, Junwei; Ma, Pengtao; Chen, Huanni; Niu, Jingyang; Wang, Jingping
Journal of publication	Crystal Growth & Design
Year of publication	2012
Journal volume	12
Journal issue	3
Pages of publication	1263
a	17.5312 ± 0.0016 Å
b	24.212 ± 0.002 Å
c	24.75 ± 0.002 Å
α	90°
β	103.919 ± 0.002°
γ	90°
Cell volume	10197 ± 1.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	9
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0567
Residual factor for significantly intense reflections	0.0349
Weighted residual factors for significantly intense reflections	0.0755
Weighted residual factors for all reflections included in the refinement	0.0813
Goodness-of-fit parameter for all reflections included in the refinement	1.016
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
179589 (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 4/50/54.	4505490.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4505490.cif
51775	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 4505487, 4505488, 4505489, 4505490, 4505491, 4505492, 4505493, 4505494, 4505495 via cif-deposit CGI script.	4505490.cif