Crystallography Open Database

Information card for entry 1543967

Preview

Structure parameters

Formula	C20 H32 Mo8 N8 O26
Calculated formula	C20 H32 Mo8 N8 O26
SMILES	[Mo]123(=O)(O[Mo](=O)(=O)O[Mo]45(O[Mo]67(=O)(O[Mo](O[Mo](O1)(=O)(=O)(O[Mo](=O)([O]56)O3)[O]2[Mo](O4)(=O)O7)(=O)=O)=O)(=O)=O)=O.n1(cc[n+](c1)CCn1c[n+](cc1)C)C.n1(cc[n+](c1)CCn1c[n+](cc1)C)C
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	20.1811 ± 0.0018 Å
b	10.64 ± 0.001 Å
c	20.2459 ± 0.0018 Å
α	90°
β	109.363 ± 0.01°
γ	90°
Cell volume	4101.4 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0357
Residual factor for significantly intense reflections	0.0244
Weighted residual factors for significantly intense reflections	0.0493
Weighted residual factors for all reflections included in the refinement	0.0507
Goodness-of-fit parameter for all reflections included in the refinement	1.009
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
301779 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure.	1543967.cif
211137	2018-09-24	cif/ Removing DOI prefixes from 127 CIF files using cif_fix_values r6433.	1543967.cif
185979	2016-08-24	cif/ Adding structures of 1543967 via cif-deposit CGI script.	1543967.cif