Crystallography Open Database

Information card for entry 4500183

Preview

Coordinates	4500183.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H30 Cu N16 O62 P2 W18
Calculated formula	C29 H30 Cu N16 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	13.042 ± 0.003 Å
b	14.212 ± 0.003 Å
c	28.03 ± 0.006 Å
α	96.1 ± 0.03°
β	90.76 ± 0.03°
γ	117.09 ± 0.03°
Cell volume	4588 ± 2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.107
Residual factor for significantly intense reflections	0.0645
Weighted residual factors for significantly intense reflections	0.1661
Weighted residual factors for all reflections included in the refinement	0.1816
Goodness-of-fit parameter for all reflections included in the refinement	0.86
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.	4500183.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4500183.cif
34390	2012-02-25	../uploads/cif-deposit/cod/cif Adding structures of 4500183 via cif-deposit CGI script.	4500183.cif