Crystallography Open Database

Information card for entry 1543965

Preview

Coordinates	1543965.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H53 Mo8 N3 O28
Calculated formula	C30 H49 Mo8 N3 O28
Title of publication	Templated fabrication, isomer recognition of series of 1,1'-(alkane-1,omega-diyl)-bis(3-methylimidazolium)-induced polyoxometalates (omega = 1-11)
Authors of publication	Hai-Juan Du; Li-Wei Mi; Zhong-Cheng Yue; Yun-Yin Niu; Hong-Wei Hou
Journal of publication	Inorganica Chimica Acta
Year of publication	2014
Pages of publication	418 - 426
a	12.6049 ± 0.001 Å
b	21.9318 ± 0.0013 Å
c	18.1934 ± 0.001 Å
α	90°
β	100.868 ± 0.006°
γ	90°
Cell volume	4939.3 ± 0.6 Å³
Cell temperature	291.15 K
Ambient diffraction temperature	291.15 K
Number of distinct elements	5
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	0.0608
Residual factor for significantly intense reflections	0.0374
Weighted residual factors for significantly intense reflections	0.0717
Weighted residual factors for all reflections included in the refinement	0.0817
Goodness-of-fit parameter for all reflections included in the refinement	1.049
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
211137 (current)	2018-09-24	cif/ Removing DOI prefixes from 127 CIF files using cif_fix_values r6433.	1543965.cif
185977	2016-08-24	cif/ Adding structures of 1543965 via cif-deposit CGI script.	1543965.cif