Crystallography Open Database

Information card for entry 2238621

Preview

Coordinates	2238621.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>)copper(II) ethanol monosolvate
Formula	C26 H20 Cu N4 O5 S
Calculated formula	C26 H20 Cu N4 O5 S
Title of publication	Bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(sulfato-κ<i>O</i>)copper(II) ethanol monosolvate
Authors of publication	Meundaeng, Natthaya; Prior, Timothy J.; Rujiwatra, Apinpus
Journal of publication	Acta Crystallographica Section E
Year of publication	2013
Journal volume	69
Journal issue	10
Pages of publication	m568 - m569
a	17.5488 ± 0.0014 Å
b	11.936 ± 0.0011 Å
c	13.0663 ± 0.0009 Å
α	90°
β	120.664 ± 0.005°
γ	90°
Cell volume	2354.2 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0777
Residual factor for significantly intense reflections	0.0578
Weighted residual factors for significantly intense reflections	0.1489
Weighted residual factors for all reflections included in the refinement	0.1595
Goodness-of-fit parameter for all reflections included in the refinement	1.01
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.	2238621.cif
89563	2013-11-06	cif/ Adding structures of 2238621 via cif-deposit CGI script.	2238621.cif