Crystallography Open Database

Information card for entry 4348220

Preview

Coordinates	4348220.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C190 H269 As24 Ca4 Mn16 N15 O88
Calculated formula	C164 H230 As24 Ca4 Mn16 N2 O88
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	21.0608 ± 0.0013 Å
b	36.802 ± 0.002 Å
c	18.5315 ± 0.0012 Å
α	90°
β	94.3488 ± 0.0012°
γ	90°
Cell volume	14322 ± 1.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.1001
Residual factor for significantly intense reflections	0.0626
Weighted residual factors for significantly intense reflections	0.157
Weighted residual factors for all reflections included in the refinement	0.1693
Goodness-of-fit parameter for all reflections included in the refinement	1.042
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.	4348220.cif