Crystallography Open Database

Information card for entry 4500691

Preview

Coordinates	4500691.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H80 Ce Cu3.5 N18 O80 P2 W22
Calculated formula	C26 H76 Ce Cu3.5 N18 O80 P2 W22
Title of publication	1-D, 2-D, and 3-D Organic‒Inorganic Hybrids Assembled from Keggin-type Polyoxometalates and 3d-4f Heterometals
Authors of publication	Niu, Jingyang; Zhang, Shaowei; Chen, Huanni; Zhao, Junwei; Ma, Pengtao; Wang, Jingping
Journal of publication	Crystal Growth & Design
Year of publication	2011
Journal volume	11
Journal issue	9
Pages of publication	3769
a	12.923 ± 0.008 Å
b	19.427 ± 0.013 Å
c	21.115 ± 0.014 Å
α	95.816 ± 0.011°
β	93.135 ± 0.011°
γ	96.147 ± 0.012°
Cell volume	5232 ± 6 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1637
Residual factor for significantly intense reflections	0.073
Weighted residual factors for significantly intense reflections	0.1371
Weighted residual factors for all reflections included in the refinement	0.1545
Goodness-of-fit parameter for all reflections included in the refinement	1.005
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.	4500691.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4500691.cif
34589	2012-02-25	../uploads/cif-deposit/cod/cif Adding structures of 4500691, 4500692, 4500693, 4500694, 4500695, 4500696 via cif-deposit CGI script.	4500691.cif