Crystallography Open Database

Information card for entry 1560838

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Coordinates	1560838.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H58 Co3 N6 O20 S6
Calculated formula	C42 H40 Co3 N4 O16 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	11.96 ± 0.02 Å
b	25.867 ± 0.008 Å
c	11.461 ± 0.016 Å
α	90°
β	106.49 ± 0.03°
γ	90°
Cell volume	3400 ± 7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.117
Residual factor for significantly intense reflections	0.0762
Weighted residual factors for significantly intense reflections	0.2142
Weighted residual factors for all reflections included in the refinement	0.2365
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation wavelength	0.79313 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
262760 (current)	2021-03-05	cif/ Adding structures of 1560838 via cif-deposit CGI script.	1560838.cif