Crystallography Open Database

Information card for entry 7210127

Preview

Coordinates	7210127.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H66 Cu3 Mo8 N4 O51
Calculated formula	C12 H14 Cu3 Mo8 N4 O51
Title of publication	Metal(ii)-directed self-assembly of amino acid functionalized polyoxometalates
Authors of publication	Chen, Zhaofei; An, Haiyan; Zhang, Hua; Hu, Ying
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	23
Pages of publication	4711
a	9.4918 ± 0.0009 Å
b	9.9627 ± 0.0009 Å
c	17.1173 ± 0.0016 Å
α	84.318 ± 0.002°
β	83.069 ± 0.002°
γ	72.651 ± 0.002°
Cell volume	1530.4 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1105
Residual factor for significantly intense reflections	0.1041
Weighted residual factors for significantly intense reflections	0.2077
Weighted residual factors for all reflections included in the refinement	0.2106
Goodness-of-fit parameter for all reflections included in the refinement	1.301
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
180432 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/01.	7210127.cif
87038	2013-07-13	cif/ Adding structures of 7210124, 7210125, 7210126, 7210127, 7210128, 7210129 via cif-deposit CGI script.	7210127.cif