Crystallography Open Database

Information card for entry 7714037

Preview

Coordinates	7714037.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C83.6 H122.4 Cu2 O18.6
Calculated formula	C83.6 H122.4 Cu2 O18.6
Title of publication	A self-assembling of a metal-organic cage-like structure bearing cofacial redox-active bis-(o-semiquinone) copper(II) units
Authors of publication	Cherkasova, Anna V.; Cherkasov, Anton Vladimirovich; Martyanov, Konstantin A.; Bogomyakov, Artem; Khrustalev, Victor N.; Kissel, Alexander; Kozhanov, Konstantin; Kuropatov, Viacheslav; Cherkasov, Vladimir Kuz'mich
Journal of publication	Dalton Transactions
Year of publication	2023
a	13.7617 ± 0.001 Å
b	13.8309 ± 0.001 Å
c	14.3002 ± 0.001 Å
α	62.027 ± 0.002°
β	63.27 ± 0.002°
γ	89.914 ± 0.002°
Cell volume	2069.9 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1019
Residual factor for significantly intense reflections	0.0712
Weighted residual factors for significantly intense reflections	0.1529
Weighted residual factors for all reflections included in the refinement	0.169
Goodness-of-fit parameter for all reflections included in the refinement	1.07
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
286562 (current)	2023-09-28	cif/ Adding structures of 7714034, 7714035, 7714036, 7714037 via cif-deposit CGI script.	7714037.cif