Crystallography Open Database

Information card for entry 8103205

Preview

Coordinates	8103205.cif

Structure parameters

Chemical name	(μ~2~-2,2'-Bipyrimidine)-tetrabromo-tetrakis(dimethyl sulfoxide-κ<i>O</i>) dimanganese(II)
Formula	C16 H30 Br4 Mn2 N4 O4 S4
Calculated formula	C16 H30 Br4 Mn2 N4 O4 S4
Title of publication	Crystal structure of (?2-2,2'-bipyrimidine)-tetrabromo-tetrakis(dimethyl sulfoxide-?O)dimanganese(II), Mn2Br4(C8H6N4)(C2H6SO)4
Authors of publication	Kwang Ha
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2011
Journal volume	226
Journal issue	4
Pages of publication	505
a	6.6356 ± 0.0004 Å
b	13.1058 ± 0.0008 Å
c	18.2552 ± 0.0011 Å
α	90°
β	98.638 ± 0.001°
γ	90°
Cell volume	1569.55 ± 0.16 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 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	0.105
Residual factor for significantly intense reflections	0.043
Weighted residual factors for significantly intense reflections	0.0746
Weighted residual factors for all reflections included in the refinement	0.1045
Goodness-of-fit parameter for all reflections included in the refinement	1
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
176728 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8103205.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8103205.cif
32547	2012-02-09	../uploads/cif-deposit/cod/cif Adding structures of 8103205 via cif-deposit CGI script.	8103205.cif