Crystallography Open Database

Information card for entry 8102118

Preview

Coordinates	8102118.cif

Structure parameters

Chemical name	bis(2,2'-bipyridine-N,N')dibromomanganese(II)
Formula	C20 H16 Br2 Mn N4
Calculated formula	C20 H16 Br2 Mn N4
SMILES	[Mn]12(Br)(Br)([n]3ccccc3c3[n]1cccc3)[n]1ccccc1c1[n]2cccc1
Title of publication	Crystal structure of bis(2,2'-bipyridine-N,N')dibromomanganese(II), MnBr~2~(C~10~H~8~N~2~)~2~
Authors of publication	Hwang, In-Chul; Ha, Kwang
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2007
Journal volume	222
Journal issue	3
Pages of publication	209 - 210
a	8.7314 ± 0.0007 Å
b	14.5026 ± 0.0011 Å
c	15.8054 ± 0.0012 Å
α	90°
β	98.037 ± 0.002°
γ	90°
Cell volume	1981.7 ± 0.3 Å³
Cell temperature	243 ± 2 K
Ambient diffraction temperature	243 ± 2 K
Number of distinct elements	5
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	0.0423
Residual factor for significantly intense reflections	0.029
Weighted residual factors for significantly intense reflections	0.0505
Weighted residual factors for all reflections included in the refinement	0.053
Goodness-of-fit parameter for all reflections included in the refinement	0.868
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.	8102118.cif
108388	2014-03-31	cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page.	8102118.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102118.cif
12857	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102118 via cif-deposit CGI script.	8102118.cif