Crystallography Open Database

Information card for entry 4341745

Preview

Coordinates	4341745.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H53 Cl2 Cu2 N9 O11 S
Calculated formula	C47 H53 Cl2 Cu2 N9 O11 S
Title of publication	Exploring the Interaction of N/S Compounds with a Dicopper Center: Tyrosinase Inhibition and Model Studies
Authors of publication	Buitrago, Elina; Vuillamy, Alexandra; Boumendjel, Ahcène; Yi, Wei; Gellon, Gisèle; Hardré, Renaud; Philouze, Christian; Serratrice, Guy; Jamet, Hélène; Réglier, Marius; Belle, Catherine
Journal of publication	Inorganic Chemistry
Year of publication	2014
Pages of publication	141121084717003
a	11.368 ± 0.002 Å
b	12.587 ± 0.003 Å
c	18.617 ± 0.004 Å
α	87.41 ± 0.03°
β	75.25 ± 0.03°
γ	85.64 ± 0.03°
Cell volume	2567.7 ± 1 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0733
Residual factor for significantly intense reflections	0.0422
Weighted residual factors for significantly intense reflections	0.0956
Weighted residual factors for all reflections included in the refinement	0.1133
Goodness-of-fit parameter for all reflections included in the refinement	1.108
Diffraction radiation probe	x-ray
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
179520 (current)	2016-03-23	cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/17.	4341745.cif
127825	2014-11-22	cif/ Adding structures of 4341745, 4341746, 4341747 via cif-deposit CGI script.	4341745.cif