Crystallography Open Database

Information card for entry 1543970

Preview

Coordinates	1543970.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H98 Br0 Mo24 N16 O83
Calculated formula	C52 H98 Mo24 N16 O83
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	19.017 ± 0.002 Å
b	10.2226 ± 0.0009 Å
c	34.035 ± 0.004 Å
α	90°
β	94.734 ± 0.011°
γ	90°
Cell volume	6593.9 ± 1.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
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	0.0773
Residual factor for significantly intense reflections	0.0567
Weighted residual factors for significantly intense reflections	0.14
Weighted residual factors for all reflections included in the refinement	0.1505
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
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.	1543970.cif
185982	2016-08-24	cif/ Adding structures of 1543970 via cif-deposit CGI script.	1543970.cif