Crystallography Open Database

Information card for entry 4349241

Preview

Coordinates	4349241.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C91 H158 Co12 Mo12 N21 O132 P23
Calculated formula	C91 H101 Co12 Mo12 N21 O132 P23
Title of publication	An Unprecedented M-O Cluster Constructed from Nanosized {[C<sub>5</sub>NH<sub>5</sub>]<sub>9</sub>[H<sub>31</sub>Mo<sup>V</sup><sub>12</sub>O<sub>24</sub>Co<sup>II</sup><sub>12</sub>(PO<sub>4</sub>)<sub>23</sub>(H<sub>2</sub>O)<sub>4</sub>]}<sup>2-</sup> Anions Exhibiting Interesting Nonlinear-Optical Properties.
Authors of publication	Dong, Yayu; Hu, Gonghao; Miao, Hao; He, Xingxiang; Fang, Min; Xu, Yan
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	22
Pages of publication	11621 - 11625
a	37.916 ± 0.013 Å
b	21.039 ± 0.007 Å
c	28.447 ± 0.01 Å
α	90°
β	113.692 ± 0.004°
γ	90°
Cell volume	20780 ± 12 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	7
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	0.0694
Residual factor for significantly intense reflections	0.0486
Weighted residual factors for significantly intense reflections	0.1575
Weighted residual factors for all reflections included in the refinement	0.1704
Goodness-of-fit parameter for all reflections included in the refinement	1.094
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
233759 (current)	2019-11-23	cif/ Adding structures of 4349241 via cif-deposit CGI script.	4349241.cif