Crystallography Open Database

Information card for entry 7704599

Preview

Coordinates	7704599.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Al13 H42 Mo10 O89 P V2
Calculated formula	Al13 H42 Mo10 O89 P V2
Title of publication	A dual-function all-inorganic intercluster salt comprising the polycation ε-[Al<sub>13</sub>O<sub>4</sub>(OH)<sub>24</sub>(H<sub>2</sub>O)<sub>12</sub>]<sup>7+</sup> and polyanion α-[PMo<sub>10</sub>V<sub>2</sub>O<sub>40</sub>]<sup>5-</sup> for detoxifying sulfur mustard and soman.
Authors of publication	Yu, Jialin; Gao, Qi; Zhang, Lijuan; Zhou, Yunshan; Zhong, Yuxu; Yin, Jianbo; Zhou, Yuanyuan; Tao, Fangsheng; Wang, Yong'an
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	24
Pages of publication	8122 - 8135
a	12.766 ± 0.003 Å
b	25.504 ± 0.005 Å
c	14.908 ± 0.003 Å
α	90°
β	105 ± 0.03°
γ	90°
Cell volume	4688.4 ± 1.8 Å³
Cell temperature	163 ± 2 K
Ambient diffraction temperature	163.15 K
Number of distinct elements	6
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.1155
Residual factor for significantly intense reflections	0.105
Weighted residual factors for significantly intense reflections	0.2625
Weighted residual factors for all reflections included in the refinement	0.2712
Goodness-of-fit parameter for all reflections included in the refinement	1.121
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
253853 (current)	2020-07-06	cif/ Updating files of 7704599 Original log message: Adding full bibliography for 7704599.cif.	7704599.cif
252662	2020-06-05	cif/ Adding structures of 7704599 via cif-deposit CGI script.	7704599.cif