Crystallography Open Database

Information card for entry 1516913

Preview

Coordinates	1516913.cif

Structure parameters

Formula	C30 H30 Mo24 N6 O82.96 P2
Calculated formula	C30 H30 Mo24 N6 O82.96 P2
Title of publication	Assembly of four new supramolecular compounds based on Keggin phosphomolybdate and different organocations
Authors of publication	Mingli Qi; Kai Yu; Zhanhua Su; Chunxiao Wang; Chunmei Wang; Baibin Zhou; Chuncheng Zhu
Journal of publication	Inorganica Chimica Acta
Year of publication	2013
Journal volume	400
Pages of publication	59 - 66
a	25.8063 ± 0.001 Å
b	25.8063 ± 0.001 Å
c	25.8063 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	17186.1 ± 1.2 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	6
Space group number	206
Hermann-Mauguin space group symbol	I a -3
Hall space group symbol	-I 2b 2c 3
Residual factor for all reflections	0.0626
Residual factor for significantly intense reflections	0.0553
Weighted residual factors for significantly intense reflections	0.1244
Weighted residual factors for all reflections included in the refinement	0.1274
Goodness-of-fit parameter for all reflections included in the refinement	1.079
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1516913.cif
119631	2014-07-08	cif/ Adding structures of 1516913 via cif-deposit CGI script.	1516913.cif