Crystallography Open Database

Information card for entry 7118311

Preview

Coordinates	7118311.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68 H162 Br Cr Mo6 N5 O26
Calculated formula	C68 H157.818 Br Cr Mo6 N5 O25.409
Title of publication	The proton-controlled synthesis of unprecedented diol functionalized Anderson-type POMs.
Authors of publication	Zhang, Jiangwei; Li, Qi; Zeng, Mengyan; Huang, Yichao; Zhang, Jin; Hao, Jian; Wei, Yongge
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2016
Journal volume	52
Journal issue	11
Pages of publication	2378 - 2381
a	16.314 ± 0.0013 Å
b	15.3614 ± 0.0006 Å
c	18.1903 ± 0.0008 Å
α	90°
β	92.867 ± 0.007°
γ	90°
Cell volume	4552.9 ± 0.5 Å³
Cell temperature	101 ± 2 K
Ambient diffraction temperature	101 ± 2 K
Number of distinct elements	7
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0465
Residual factor for significantly intense reflections	0.0359
Weighted residual factors for significantly intense reflections	0.0861
Weighted residual factors for all reflections included in the refinement	0.0933
Goodness-of-fit parameter for all reflections included in the refinement	1.03
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
175885 (current)	2016-02-04	cif/ Updating files of 7118311, 7118312, 7118313, 7118314, 7118315, 7118316 Original log message: Adding full bibliography for 7118311--7118316.cif.	7118311.cif
173521	2016-01-06	cif/ Adding structures of 7118311, 7118312, 7118313, 7118314, 7118315, 7118316 via cif-deposit CGI script.	7118311.cif