Crystallography Open Database

Information card for entry 4348221

Preview

Coordinates	4348221.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C192 H280 As24 Mn16 N16 O88 Sr4
Calculated formula	C160 H224 As24 Mn16 O87 Sr4
Title of publication	Unusual Mn(III/IV)4 Cubane and Mn(III)16M4 (M = Ca, Sr) Looplike Clusters from the Use of Dimethylarsinic Acid.
Authors of publication	Chakov, Nicole E.; Thuijs, Annaliese E.; Wernsdorfer, Wolfgang; Rheingold, Arnold L.; Abboud, Khalil A.; Christou, George
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	17
Pages of publication	8468 - 8477
a	20.862 ± 0.003 Å
b	36.594 ± 0.005 Å
c	18.644 ± 0.002 Å
α	90°
β	101.37 ± 0.002°
γ	90°
Cell volume	13954 ± 3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1511
Residual factor for significantly intense reflections	0.0881
Weighted residual factors for significantly intense reflections	0.2311
Weighted residual factors for all reflections included in the refinement	0.2741
Goodness-of-fit parameter for all reflections included in the refinement	1.015
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
232833 (current)	2019-11-23	cif/ Adding structures of 4348219, 4348220, 4348221 via cif-deposit CGI script.	4348221.cif