Crystallography Open Database

Information card for entry 1568168

Preview

Coordinates	1568168.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H56 Br2 Cu2 N10
Calculated formula	C42 H56 Br2 Cu2 N10
Title of publication	The bridge towards a more stable and active side-on-peroxido (Cu<sub>2</sub><sup>II</sup>(µ-η<sup>2</sup>:η<sup>2</sup>-O<sub>2</sub>)) complex as a tyrosinase model system.
Authors of publication	Dalhoff, Rosalie; Schmidt, Regina; Steeb, Lena; Rabatinova, Kristina; Witte, Matthias; Teeuwen, Simon; Benjamaâ, Salim; Hüppe, Henrika; Hoffmann, Alexander; Herres-Pawlis, Sonja
Journal of publication	Faraday discussions
Year of publication	2023
Journal volume	244
Journal issue	0
Pages of publication	134 - 153
a	15.937 ± 0.003 Å
b	16.75 ± 0.003 Å
c	17.048 ± 0.003 Å
α	89.73 ± 0.03°
β	86.39 ± 0.03°
γ	86.79 ± 0.03°
Cell volume	4534.7 ± 1.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1085
Residual factor for significantly intense reflections	0.0645
Weighted residual factors for significantly intense reflections	0.1548
Weighted residual factors for all reflections included in the refinement	0.1703
Goodness-of-fit parameter for all reflections included in the refinement	0.956
Diffraction radiation probe	x-ray
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
286129 (current)	2023-09-05	cif/ Updating files of 1568167, 1568168, 1568169, 1568170, 1568171, 1568172, 1568173 Original log message: Adding full bibliography for 1568167--1568173.cif.	1568168.cif
280000	2022-12-22	cif/ Adding structures of 1568167, 1568168, 1568169, 1568170, 1568171, 1568172, 1568173 via cif-deposit CGI script.	1568168.cif