Crystallography Open Database

Information card for entry 4339240

Preview

Coordinates	4339240.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C82 H104 Mn7 N16 O26
Calculated formula	C66 H72 Mn7 N6 O26
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	13.3525 ± 0.0003 Å
b	14.5192 ± 0.0004 Å
c	23.566 ± 0.0006 Å
α	90°
β	104.008 ± 0.002°
γ	90°
Cell volume	4432.8 ± 0.2 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 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	0.1062
Residual factor for significantly intense reflections	0.0508
Weighted residual factors for all reflections	0.1389
Weighted residual factors for significantly intense reflections	0.128
Weighted residual factors for all reflections included in the refinement	0.1389
Goodness-of-fit parameter for all reflections included in the refinement	0.7276
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179495 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/92.	4339240.cif
117222	2014-06-14	cif/ Adding structures of 4339240 via cif-deposit CGI script.	4339240.cif