Crystallography Open Database

Information card for entry 4500570

Preview

Coordinates	4500570.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H38 Cu4 Mo12 N10 O40 P
Calculated formula	C35 H38 Cu4 Mo12 N10 O40 P
Title of publication	Solvothermal Assembly of a Series of Organic‒Inorganic Hybrid Materials Constructed from Keggin Polyoxometalate Clusters and Copper(I)‒Organic Frameworks
Authors of publication	Liu, Hai-Yan; Wu, Hua; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang; Bai, Hong-Ye
Journal of publication	Crystal Growth & Design
Year of publication	2011
Journal volume	11
Journal issue	5
Pages of publication	1786
a	12.8567 ± 0.0004 Å
b	11.8861 ± 0.0003 Å
c	22.4652 ± 0.0007 Å
α	90°
β	92.158 ± 0.003°
γ	90°
Cell volume	3430.61 ± 0.17 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1413
Residual factor for significantly intense reflections	0.0586
Weighted residual factors for significantly intense reflections	0.1482
Weighted residual factors for all reflections included in the refinement	0.1745
Goodness-of-fit parameter for all reflections included in the refinement	0.844
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4500570.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4500570.cif
34550	2012-02-25	../uploads/cif-deposit/cod/cif Adding structures of 4500564, 4500565, 4500566, 4500567, 4500568, 4500569, 4500570 via cif-deposit CGI script.	4500570.cif