Crystallography Open Database

Information card for entry 2023276

2023275 << 2023276 >> 2023277

Preview

Coordinates	2023276.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	<i>catena</i>-Poly[[triaquasodium]-di-μ-aqua-[triaquasodium]-μ-(ethane-1,2-diyl)bis[(3-methoxypropyl)phosphinodithiolato]]
Formula	C5 H19 Na O5 P S2
Calculated formula	C5 H19 Na O5 P S2
Title of publication	Synthesis and crystal structure of sodium (ethane-1,2-diyl)bis[(3-methoxypropyl)phosphinodithiolate] octahydrate
Authors of publication	Nell, Bryan P.; Tyler, David R.; Zakharov, Lev N.; Johnston, Dean H.
Journal of publication	Acta Crystallographica Section E Crystallographic Communications
Year of publication	2024
Journal volume	80
Journal issue	11
Pages of publication	1138 - 1141
a	6.7412 ± 0.0008 Å
b	8.2961 ± 0.0008 Å
c	11.8621 ± 0.0017 Å
α	79.608 ± 0.002°
β	89.207 ± 0.002°
γ	87.03 ± 0.001°
Cell volume	651.63 ± 0.14 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173.15 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	0.03
Residual factor for significantly intense reflections	0.0264
Weighted residual factors for significantly intense reflections	0.0653
Weighted residual factors for all reflections included in the refinement	0.068
Goodness-of-fit parameter for all reflections included in the refinement	1.021
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
296769 (current)	2024-12-07	cif/ Updating files of 2023276 Original log message: Adding full bibliography for 2023276.cif.	2023276.cif
295454	2024-10-12	cif/ Adding structures of 2023276 via cif-deposit CGI script.	2023276.cif