Crystallography Open Database

Information card for entry 7246579

Preview

Coordinates	7246579.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H15.5 Cu N2 O4.25
Calculated formula	C18 H15.5 Cu N2 O4.2499
Title of publication	Design and synthesis of copper(ii) malonates with N,N′-containing linkers
Authors of publication	Zorina-Tikhonova, Ekaterina N.; Chistyakov, Aleksandr S.; Novikova, Veronika A.; Knyazev, Daniil A.; Gogoleva, Natalia V.; Blinou, Daniil O.; Efimov, Nikolay N.; Dorovatovskii, Pavel V.; Kiskin, Mikhail A.; Eremenko, Igor L.; Vologzhanina, Anna V.
Journal of publication	CrystEngComm
Year of publication	2023
Journal volume	25
Journal issue	19
Pages of publication	2859 - 2870
a	9.1259 ± 0.0007 Å
b	13.4355 ± 0.001 Å
c	14.5446 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	1783.3 ± 0.2 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	5
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0825
Residual factor for significantly intense reflections	0.0626
Weighted residual factors for significantly intense reflections	0.1297
Weighted residual factors for all reflections included in the refinement	0.1397
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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
284252 (current)	2023-06-05	cif/ Updating files of 7246576, 7246577, 7246578, 7246579, 7246580, 7246581, 7246582, 7246583 Original log message: Adding full bibliography for 7246576--7246583.cif.	7246579.cif
282529	2023-04-08	cif/ Adding structures of 7246576, 7246577, 7246578, 7246579, 7246580, 7246581, 7246582, 7246583 via cif-deposit CGI script.	7246579.cif