Crystallography Open Database

Information card for entry 7026389

Preview

Coordinates	7026389.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H44 Cu N4 O8 S
Calculated formula	C32 H44 Cu N4 O8 S
SMILES	[Cu]12(OS(=O)(=O)[O-])([n]3ccccc3C=[N]1[C@@H](c1ccccc1)C)[n]1ccccc1C=[N]2[C@@H](c1ccccc1)C.CO.CO.CO.CO
Title of publication	Synthesis and characterization of enantiopure copper(II) complexes using chiral bidentate ligands.
Authors of publication	Min, Kil Sik; Park, A. Hyun; Shin, Jong Won; Rowthu, Sankara Rao; Kim, Seog K.; Ryoo, Jae Jeong
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	37
Pages of publication	8741 - 8747
a	9.3705 ± 0.0005 Å
b	20.1465 ± 0.0011 Å
c	9.7391 ± 0.0005 Å
α	90°
β	106.979 ± 0.001°
γ	90°
Cell volume	1758.43 ± 0.16 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0619
Residual factor for significantly intense reflections	0.0391
Weighted residual factors for significantly intense reflections	0.0676
Weighted residual factors for all reflections included in the refinement	0.0914
Goodness-of-fit parameter for all reflections included in the refinement	1.155
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
179969 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/63.	7026389.cif
93484	2014-01-13	cif/ Adding structures of 7026388, 7026389, 7026390, 7026391 via cif-deposit CGI script.	7026389.cif