Crystallography Open Database

Information card for entry 4502225

Preview

Coordinates	4502225.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H155 Gd3 K6 Mn2 Na8 O235 P6 W42
Calculated formula	C4 H2 Gd3 K6 Mn2 Na8 O217 P6 W42
Title of publication	Two Heterometallic Aggregates Constructed from the {P2W12}-Based Trimeric Polyoxotungstates and 3d-4f Heterometals
Authors of publication	Yao, Shuang; Zhang, Zhiming; Li, Yangguang; Lu, Ying; Wang, Enbo; Su, Zhongmin
Journal of publication	Crystal Growth & Design
Year of publication	2010
Journal volume	10
Journal issue	1
Pages of publication	135
a	19.46 ± 0.004 Å
b	20.323 ± 0.004 Å
c	31.407 ± 0.006 Å
α	95.59 ± 0.03°
β	90.01 ± 0.03°
γ	108.96 ± 0.03°
Cell volume	11685 ± 5 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	9
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1563
Residual factor for significantly intense reflections	0.0802
Weighted residual factors for significantly intense reflections	0.166
Weighted residual factors for all reflections included in the refinement	0.1918
Goodness-of-fit parameter for all reflections included in the refinement	0.944
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
179553 (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 4/50/22.	4502225.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4502225.cif
36298	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 4502225 via cif-deposit CGI script.	4502225.cif