Crystallography Open Database

Information card for entry 2200827

2200826 << 2200827 >> 2200828

Preview

No preview available: file is not found.

Coordinates	Coordinates are not available: file is not found.
Structure factors	2200827.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	Di-aqua-bis(thiocyanato-N)(bis(2-methylpyrazine-N)cobalt(II)
Formula	C12 H16 Co N6 O2 S2
Calculated formula	C12 H16 Co N6 O2 S2
SMILES	c1c(C)ncc[n]1[Co]([n]1cc(C)ncc1)(N=C=S)(N=C=S)([OH2])[OH2]
Title of publication	Diaquabis(2-methylpyrazine-<i>N</i>)bis(thiocyanato-<i>N</i>)cobalt(II)
Authors of publication	Näther, Christian; Greve, Jan; Beck, Andreas
Journal of publication	Acta Crystallographica Section E
Year of publication	2002
Journal volume	58
Journal issue	1
Pages of publication	m30 - m32
a	6.91 ± 0.002 Å
b	8.085 ± 0.002 Å
c	9.234 ± 0.002 Å
α	107.85 ± 0.01°
β	111.93 ± 0.01°
γ	99.42 ± 0.01°
Cell volume	432.3 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.052
Residual factor for significantly intense reflections	0.0295
Weighted residual factors for significantly intense reflections	0.073
Weighted residual factors for all reflections included in the refinement	0.0788
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Version history is temporarily not available due to server issues.