Crystallography Open Database

Information card for entry 7125640

Preview

Coordinates	7125640.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Fe40 Mo96 Na32 O625.43 P68
Calculated formula	Fe40 Mo96 Na32 O625.36 P68
Title of publication	Purely inorganic frameworks based on polyoxometalate clusters with abundant phosphate groups: single-crystal to single-crystal structural transformation and remarkable proton conduction.
Authors of publication	Zhang, Shan; Lu, Ying; Sun, Xiu-Wei; Li, Zhuo; Dang, Tian-Yi; Zhang, Zhong; Tian, Hong-Rui; Liu, Shu-Xia
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	3
Pages of publication	391 - 394
a	27.3577 ± 0.0009 Å
b	27.3577 ± 0.0009 Å
c	38.0332 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	28465.7 ± 1.6 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	142
Hermann-Mauguin space group symbol	I 41/a c d :2
Hall space group symbol	-I 4bd 2c
Residual factor for all reflections	0.0574
Residual factor for significantly intense reflections	0.0388
Weighted residual factors for significantly intense reflections	0.0968
Weighted residual factors for all reflections included in the refinement	0.1064
Goodness-of-fit parameter for all reflections included in the refinement	1.083
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
247622 (current)	2020-02-04	cif/ Updating files of 7125640, 7125641 Original log message: Adding full bibliography for 7125640--7125641.cif.	7125640.cif
244837	2019-12-01	cif/ Adding structures of 7125640, 7125641 via cif-deposit CGI script.	7125640.cif