Crystallography Open Database

Information card for entry 7247733

Preview

Coordinates	7247733.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C70 H55 N9 Ni2 O12
Calculated formula	C70 H55 N9 Ni2 O12
Title of publication	Solvent effect in the chemical design of coordination polymers of various topologies with Co2+ and Ni2+ ions and 2-furoate anions
Authors of publication	Uvarova, Marina A.; Lutsenko, Irina A.; Babeshkin, Konstantin A.; Sokolov, Andrey V.; Alexandrov, Eugeny V.; Efimov, Nikolay N.; Shmelev, Maxim A.; Khoroshilov, Andrey V.; Eremenko, Igor L.; Kiskin, Mikhail A.
Journal of publication	CrystEngComm
Year of publication	2023
Journal volume	25
Journal issue	48
Pages of publication	6786 - 6795
a	10.4988 ± 0.0003 Å
b	16.7826 ± 0.0004 Å
c	18.4931 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	3258.43 ± 0.15 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	56
Hermann-Mauguin space group symbol	P c c n
Hall space group symbol	-P 2ab 2ac
Residual factor for all reflections	0.0728
Residual factor for significantly intense reflections	0.0568
Weighted residual factors for significantly intense reflections	0.151
Weighted residual factors for all reflections included in the refinement	0.1651
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
288802 (current)	2024-01-06	cif/ Updating files of 7247730, 7247731, 7247732, 7247733 Original log message: Adding full bibliography for 7247730--7247733.cif.	7247733.cif
287626	2023-11-16	cif/ Adding structures of 7247730, 7247731, 7247732, 7247733 via cif-deposit CGI script.	7247733.cif