Crystallography Open Database

Information card for entry 1568966

Preview

Coordinates	1568966.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Cs10 Fe30 Mo84 O382 P
Calculated formula	Cs10 Fe30 Mo83.9992 O382 P
Title of publication	A redox-active inorganic crown ether based on a polyoxometalate capsule.
Authors of publication	Tamai, Nanako; Ogiwara, Naoki; Hayashi, Eri; Kamata, Keigo; Misawa, Toshiyuki; Ito, Takeru; Kojima, Tatsuhiro; Segado, Mireia; Petrus, Enric; Bo, Carles; Uchida, Sayaka
Journal of publication	Chemical science
Year of publication	2023
Journal volume	14
Journal issue	20
Pages of publication	5453 - 5459
a	35.08 ± 0.0007 Å
b	36.9265 ± 0.0007 Å
c	34.8114 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	45094 ± 1.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100.15 K
Number of distinct elements	5
Space group number	64
Hermann-Mauguin space group symbol	C c m e
Hall space group symbol	-C 2ac 2ac
Residual factor for all reflections	0.0905
Residual factor for significantly intense reflections	0.0701
Weighted residual factors for significantly intense reflections	0.1797
Weighted residual factors for all reflections included in the refinement	0.1939
Goodness-of-fit parameter for all reflections included in the refinement	1.021
Diffraction radiation wavelength	0.4132 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
284226 (current)	2023-06-05	cif/ Updating files of 1568966 Original log message: Adding full bibliography for 1568966.cif.	1568966.cif
282856	2023-04-27	cif/ Adding structures of 1568966 via cif-deposit CGI script.	1568966.cif