Crystallography Open Database

Information card for entry 4123882

Preview

Coordinates	4123882.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	F6 K9 Mn Na O71 W17
Calculated formula	F6 K9 Mn Na O71 W17
Title of publication	Reactivity and O2 Formation by Mn(IV)- and Mn(V)-Hydroxo Species Stabilized within a Polyfluoroxometalate Framework.
Authors of publication	Schreiber, Roy E.; Cohen, Hagai; Leitus, Gregory; Wolf, Sharon G.; Zhou, Ang; Que, Jr, Lawrence; Neumann, Ronny
Journal of publication	Journal of the American Chemical Society
Year of publication	2015
Journal volume	137
Journal issue	27
Pages of publication	8738 - 8748
a	22.604 ± 0.005 Å
b	12.289 ± 0.003 Å
c	29.349 ± 0.006 Å
α	90°
β	92.4 ± 0.03°
γ	90°
Cell volume	8145 ± 3 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
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	0.059
Residual factor for significantly intense reflections	0.0506
Weighted residual factors for significantly intense reflections	0.1302
Weighted residual factors for all reflections included in the refinement	0.1341
Goodness-of-fit parameter for all reflections included in the refinement	1.084
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
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	4123882.cif
152844	2015-08-05	cif/ Updating files of 4123881, 4123882, 4123883, 4123884 Original log message: Adding full bibliography for 4123881--4123884.cif.	4123882.cif
139809	2015-07-01	cif/ Adding structures of 4123882 via cif-deposit CGI script.	4123882.cif