Crystallography Open Database

Information card for entry 4500180

Preview

Coordinates	4500180.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H48 N7 O65 P2 W18
Calculated formula	C24 H48 N7 O65.02 P2 W18
Title of publication	Polyoxometalate-Based Metal−Organic Frameworks Assembled under the Ionothermal Conditions
Authors of publication	Fu, Hai; Li, Yangguang; Lu, Ying; Chen, Weilin; Wu, Qiong; Meng, Jingxin; Wang, Xiaolan; Zhang, Zhiming; Wang, Enbo
Journal of publication	Crystal Growth & Design
Year of publication	2011
Journal volume	11
Journal issue	2
Pages of publication	458
a	28.057 ± 0.006 Å
b	30.504 ± 0.006 Å
c	23.961 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	20507 ± 7 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.1986
Residual factor for significantly intense reflections	0.0816
Weighted residual factors for significantly intense reflections	0.164
Weighted residual factors for all reflections included in the refinement	0.2062
Goodness-of-fit parameter for all reflections included in the refinement	0.957
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
179532 (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 4/50/01.	4500180.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4500180.cif
34386	2012-02-25	../uploads/cif-deposit/cod/cif Adding structures of 4500180 via cif-deposit CGI script.	4500180.cif