Crystallography Open Database

Information card for entry 8105204

Preview

Coordinates	8105204.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H14 N3 Na O5 S
Calculated formula	C10 H14 N3 Na O5 S
Title of publication	The crystal structure of poly[μ2-aqua- aqua-(μ3-(E)-2-(4-((2-carbamothioylhydrazineylidene)methyl)phenoxy)acetato-κ3 O:S:S)sodium(I)], C10H14N3O5SNa
Authors of publication	Tai, Xi-Shi; Wang, Li-Hua; Xia, Yu-Pei
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2022
Journal volume	237
Journal issue	2
Pages of publication	277 - 279
a	6.7015 ± 0.0005 Å
b	7.5656 ± 0.0005 Å
c	14.1332 ± 0.0008 Å
α	97.08 ± 0.005°
β	93.159 ± 0.005°
γ	112.125 ± 0.007°
Cell volume	654.71 ± 0.08 Å³
Cell temperature	273 K
Ambient diffraction temperature	273 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0433
Residual factor for significantly intense reflections	0.0357
Weighted residual factors for significantly intense reflections	0.0818
Weighted residual factors for all reflections included in the refinement	0.0872
Goodness-of-fit parameter for all reflections included in the refinement	1.08
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
275298 (current)	2022-05-10	cif/ Adding structures of 8105204 via cif-deposit CGI script.	8105204.cif