Crystallography Open Database

Information card for entry 4338980

Preview

Coordinates	4338980.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C85.4 H84 Cl10.2 Mn8 N4 O42
Calculated formula	C85.4 H84 Cl10.2 Mn8 N4 O42
Title of publication	Molecules composed of two weakly magnetically coupled [MnIII4] clusters.
Authors of publication	Sañudo, E Carolina; Cauchy, Thomas; Ruiz, Eliseo; Laye, Rebecca H.; Roubeau, Olivier; Teat, Simon J.; Aromí, Guillem
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	22
Pages of publication	9045 - 9047
a	30.935 ± 0.006 Å
b	14.33 ± 0.003 Å
c	25.247 ± 0.005 Å
α	90°
β	97.716 ± 0.002°
γ	90°
Cell volume	11091 ± 4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0923
Residual factor for significantly intense reflections	0.0645
Weighted residual factors for significantly intense reflections	0.1714
Weighted residual factors for all reflections included in the refinement	0.1949
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation wavelength	0.7848 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4338980.cif
117038	2014-06-14	cif/ Adding structures of 4338980 via cif-deposit CGI script.	4338980.cif