Crystallography Open Database

Information card for entry 8103171

Preview

Coordinates	8103171.cif

Structure parameters

Chemical name	Bis(2,2'-bipyrimidine-κ^2^N,N')dichloromanganese(II) - nitromethane (1:1)
Formula	C17 H15 Cl2 Mn N9 O2
Calculated formula	C17 H15 Cl2 Mn N9 O2
Title of publication	Crystal structure of bis(2,2'-bipyrimidine-?2N,N')dichloromanganese(II) — nitromethane (1:1), MnCl2(C8H6N4)2 · CH3NO2
Authors of publication	Kwang Ha
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2011
Journal volume	226
Journal issue	3
Pages of publication	421
a	8.2605 ± 0.0004 Å
b	11.9532 ± 0.0006 Å
c	20.7348 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	2047.34 ± 0.18 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	6
Space group number	20
Hermann-Mauguin space group symbol	C 2 2 21
Hall space group symbol	C 2c 2
Residual factor for all reflections	0.0657
Residual factor for significantly intense reflections	0.0363
Weighted residual factors for significantly intense reflections	0.0679
Weighted residual factors for all reflections included in the refinement	0.0905
Goodness-of-fit parameter for all reflections included in the refinement	1.124
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.	8103171.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8103171.cif
29171	2011-11-02	../uploads/cif-deposit/cod/cif Adding structures of 8103171 via cif-deposit CGI script.	8103171.cif