Crystallography Open Database

Information card for entry 4500181

Preview

Coordinates	4500181.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H49 Cu N14 O62 P2 W18
Calculated formula	C35 H49 Cu N14 O62 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	14.661 ± 0.003 Å
b	26.008 ± 0.005 Å
c	25.117 ± 0.007 Å
α	90°
β	122.75 ± 0.02°
γ	90°
Cell volume	8055 ± 4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
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	0.0674
Residual factor for significantly intense reflections	0.0488
Weighted residual factors for significantly intense reflections	0.087
Weighted residual factors for all reflections included in the refinement	0.0941
Goodness-of-fit parameter for all reflections included in the refinement	1.046
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.	4500181.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4500181.cif
34388	2012-02-25	../uploads/cif-deposit/cod/cif Adding structures of 4500181 via cif-deposit CGI script.	4500181.cif