Crystallography Open Database

Information card for entry 4339239

Preview

Coordinates	4339239.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C69.5 H88.5 Mn7 N7 O26.25
Calculated formula	C69.5 H84.75 Mn7 N7 O26.25
Title of publication	Two frustrated, bitetrahedral single-molecule magnets.
Authors of publication	Milios, Constantinos J.; Gass, Ian A.; Vinslava, Alina; Budd, Laura; Parsons, Simon; Wernsdorfer, Wolfgang; Perlepes, Spyros P.; Christou, George; Brechin, Euan K.
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	16
Pages of publication	6215 - 6217
a	14.8484 ± 0.0009 Å
b	24.6631 ± 0.0015 Å
c	21.0364 ± 0.0014 Å
α	90°
β	90.182 ± 0.002°
γ	90°
Cell volume	7703.7 ± 0.8 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0912
Residual factor for significantly intense reflections	0.0564
Weighted residual factors for significantly intense reflections	0.133
Weighted residual factors for all reflections included in the refinement	0.1464
Goodness-of-fit parameter for all reflections included in the refinement	1.018
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4339239.cif
117221	2014-06-14	cif/ Adding structures of 4339239 via cif-deposit CGI script.	4339239.cif