Crystallography Open Database

Information card for entry 7203289

7203288 << 7203289 >> 7203290

Preview

Coordinates	7203289.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H44 Cl2 Cu N4 O8 S4
Calculated formula	C48 H44 Cl2 Cu N4 O8 S4
SMILES	c1(ccccc1)S(c1ccccc1)=[NH][Cu]([NH]=S(c1ccccc1)c1ccccc1)([NH]=S(c1ccccc1)c1ccccc1)[NH]=S(c1ccccc1)c1ccccc1.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O
Title of publication	New observations of structural diversity in copper(ii) complexes of diphenylsulfimide
Authors of publication	Holmes, Kathryn E.; Kelly, Paul F.; Dale, Sophie H.; Elsegood, Mark R. J.
Journal of publication	CrystEngComm
Year of publication	2006
Journal volume	8
Journal issue	5
Pages of publication	391
a	17.1827 ± 0.0007 Å
b	20.0047 ± 0.0009 Å
c	14.4205 ± 0.0006 Å
α	90°
β	103.157 ± 0.002°
γ	90°
Cell volume	4826.7 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
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	0.0404
Residual factor for significantly intense reflections	0.03
Weighted residual factors for significantly intense reflections	0.0736
Weighted residual factors for all reflections included in the refinement	0.0796
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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
180363 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/32.	7203289.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7203289.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7203289.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7203289.cif