Crystallography Open Database

Information card for entry 1564963

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Coordinates	1564963.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H12 Co N6 O5 S
Calculated formula	C16 H12 Co N6 O5 S
Title of publication	Synthesis, structures, magnetic and electric properties of four new coordination polymers constructed with heterocyclic nitrogen ligands and multidentate organic acid
Authors of publication	Yang, Ru-Xia; Lan, Hai-Ming; Zhu, Peng-Yin; Yang, Li-Zhen; Yu, Yu-Ming; Wang, Lu-Lu; Wang, Duo-Zhi
Journal of publication	Inorganica Chimica Acta
Year of publication	2020
Journal volume	506
Pages of publication	119410
a	10.2173 ± 0.0006 Å
b	16.6676 ± 0.0008 Å
c	11.2467 ± 0.0006 Å
α	90°
β	111.514 ± 0.007°
γ	90°
Cell volume	1781.85 ± 0.19 Å³
Cell temperature	289 ± 0.8 K
Ambient diffraction temperature	289 ± 0.8 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0557
Residual factor for significantly intense reflections	0.0449
Weighted residual factors for significantly intense reflections	0.1073
Weighted residual factors for all reflections included in the refinement	0.1139
Goodness-of-fit parameter for all reflections included in the refinement	1.093
Diffraction radiation probe	x-ray
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
269987 (current)	2021-10-18	cif/ Adding structures of 1564963 via cif-deposit CGI script.	1564963.cif