Crystallography Open Database

Information card for entry 7048361

Preview

Coordinates	7048361.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H26 Cl2 Cu2 N2 O14 S2
Calculated formula	C17 H30 Cl2 Cu2 N2 O14 S2
Title of publication	Thioether sulfur-bound [Cu<sub>2</sub>] complexes showing catechol oxidase activity and DNA cleaving behaviour.
Authors of publication	Das, Manisha; Afsan, Zeenat; Basak, Dipmalya; Arjmand, Farukh; Ray, Debashis
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	4
Pages of publication	1292 - 1313
a	8.6838 ± 0.0008 Å
b	33.813 ± 0.003 Å
c	9.7383 ± 0.0009 Å
α	90°
β	104.186 ± 0.005°
γ	90°
Cell volume	2772.2 ± 0.4 Å³
Cell temperature	297 ± 2 K
Ambient diffraction temperature	297.17 K
Number of distinct elements	7
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0544
Residual factor for significantly intense reflections	0.0462
Weighted residual factors for significantly intense reflections	0.1252
Weighted residual factors for all reflections included in the refinement	0.1326
Goodness-of-fit parameter for all reflections included in the refinement	1.03
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7048361.html