Crystallography Open Database

Information card for entry 1560839

Preview

Coordinates	1560839.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H61 Co3 N8 O19.5 S6
Calculated formula	C40 H30 Co3 N4 O14 S6
Title of publication	3D Metal-Organic Frameworks Based on Co(II) and Bithiophendicarboxylate: Synthesis, Crystal Structures, Gas Adsorption, and Magnetic Properties.
Authors of publication	Dubskikh, Vadim A.; Lysova, Anna A.; Samsonenko, Denis G.; Lavrov, Alexander N.; Kovalenko, Konstantin A.; Dybtsev, Danil N.; Fedin, Vladimir P.
Journal of publication	Molecules (Basel, Switzerland)
Year of publication	2021
Journal volume	26
Journal issue	5
Pages of publication	1269
a	11.746 ± 0.002 Å
b	42.15 ± 0.004 Å
c	51.849 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	25670 ± 5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	70
Hermann-Mauguin space group symbol	F d d d :2
Hall space group symbol	-F 2uv 2vw
Residual factor for all reflections	0.0442
Residual factor for significantly intense reflections	0.0361
Weighted residual factors for significantly intense reflections	0.0961
Weighted residual factors for all reflections included in the refinement	0.0997
Goodness-of-fit parameter for all reflections included in the refinement	1.073
Diffraction radiation wavelength	0.79313 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
262761 (current)	2021-03-05	cif/ Adding structures of 1560839 via cif-deposit CGI script.	1560839.cif