Crystallography Open Database

Information card for entry 7211343

Preview

Coordinates	7211343.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H42 Cu2 Mo8 N12 O29
Calculated formula	C36 H36 Cu2 Mo8 N12 O29
Title of publication	pH-dependent assembly of metal‒organic hybrid compounds based on octamolybdates and a new flexible multidentate ligand
Authors of publication	Yue, Zhong-Cheng; Shen, Li-Xia; Wu, Huan-Huan; Li, Xing-Hui; Niu, Yun-Yin
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	46
Pages of publication	9938
a	11.4044 ± 0.0006 Å
b	22.5801 ± 0.0008 Å
c	11.8951 ± 0.0006 Å
α	90°
β	115.844 ± 0.006°
γ	90°
Cell volume	2756.8 ± 0.3 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291.15 K
Number of distinct elements	6
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	0.0494
Residual factor for significantly intense reflections	0.0355
Weighted residual factors for significantly intense reflections	0.0669
Weighted residual factors for all reflections included in the refinement	0.0715
Goodness-of-fit parameter for all reflections included in the refinement	1.083
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180444 (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 7/21/13.	7211343.cif
91428	2013-12-13	cif/ Adding structures of 7211340, 7211341, 7211342, 7211343, 7211344, 7211345 via cif-deposit CGI script.	7211343.cif