Crystallography Open Database

Information card for entry 4500695

Preview

Coordinates	4500695.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H102 Cu5 Er N20 O88.5 P2 W22
Calculated formula	C36 H80 Cu5 Er N20 O88.5 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	13.7089 ± 0.0013 Å
b	19.2704 ± 0.0018 Å
c	25.333 ± 0.002 Å
α	105.13 ± 0.002°
β	104.191 ± 0.001°
γ	99.847 ± 0.002°
Cell volume	6062.6 ± 0.9 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	0.0526
Residual factor for significantly intense reflections	0.0381
Weighted residual factors for significantly intense reflections	0.0847
Weighted residual factors for all reflections included in the refinement	0.0894
Goodness-of-fit parameter for all reflections included in the refinement	1.008
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.	4500695.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4500695.cif
34589	2012-02-25	../uploads/cif-deposit/cod/cif Adding structures of 4500691, 4500692, 4500693, 4500694, 4500695, 4500696 via cif-deposit CGI script.	4500695.cif