Crystallography Open Database

Information card for entry 1543972

Preview

Coordinates	1543972.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H90 Mo16 N12 O54
Calculated formula	C45 H64 Mo16 N12 O54
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	10.1362 ± 0.0013 Å
b	12.646 ± 0.004 Å
c	19.1345 ± 0.0012 Å
α	92.188 ± 0.012°
β	98.683 ± 0.008°
γ	112.18 ± 0.02°
Cell volume	2233 ± 0.8 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0512
Residual factor for significantly intense reflections	0.0369
Weighted residual factors for significantly intense reflections	0.0807
Weighted residual factors for all reflections included in the refinement	0.0879
Goodness-of-fit parameter for all reflections included in the refinement	1.062
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.	1543972.cif
185984	2016-08-24	cif/ Adding structures of 1543972 via cif-deposit CGI script.	1543972.cif