Crystallography Open Database

Information card for entry 2238654

Preview

Coordinates	2238654.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(sulfato-κ<i>O</i>)zinc(II) propane-1,2-diol monosolvate
Formula	C27 H24 N4 O6 S Zn
Calculated formula	C27 H24 N4 O6 S Zn
Title of publication	Bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(sulfato-κ<i>O</i>)zinc(II) propane-1,2-diol monosolvate
Authors of publication	Zhong, Kai-Long
Journal of publication	Acta Crystallographica Section E
Year of publication	2013
Journal volume	69
Journal issue	10
Pages of publication	m561
a	17.3913 ± 0.001 Å
b	12.9247 ± 0.0007 Å
c	13.2214 ± 0.0007 Å
α	90°
β	123.248 ± 0.005°
γ	90°
Cell volume	2485.4 ± 0.3 Å³
Cell temperature	223.15 K
Ambient diffraction temperature	223.15 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	0.0504
Residual factor for significantly intense reflections	0.0409
Weighted residual factors for significantly intense reflections	0.0958
Weighted residual factors for all reflections included in the refinement	0.1024
Goodness-of-fit parameter for all reflections included in the refinement	1.056
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176798 (current)	2016-02-21	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23.	2238654.cif
89603	2013-11-06	cif/ Adding structures of 2238654 via cif-deposit CGI script.	2238654.cif