Crystallography Open Database

Information card for entry 1566631

Preview

Coordinates	1566631.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H34 Cd N4 O6 P2 S4
Calculated formula	C22 H34 Cd N4 O6 P2 S4
Title of publication	Unusual {⋯HNC <sub>2</sub> O⋯HC <sub> <i>n</i> </sub> O}, <i>n</i> = 1 or 2, synthons predominate in the molecular packing of one-dimensional coordination polymers, {Cd[S <sub>2</sub> P(OR) <sub>2</sub> ] <sub>2</sub> ( <sup>3</sup> LH <sub>2</sub> )} <sub> <i>n</i> </sub> , for R = Me and Et, but are precluded when R = i-Pr; <sup>3</sup> LH <sub>2</sub> = <i>N</i> , <i>N</i> ′-bis(3-pyridylmethyl)oxalamide
Authors of publication	Tan, Yee Seng; Yeo, Chien Ing; Kwong, Huey Chong; Tiekink, Edward R. T.
Journal of publication	CrystEngComm
Year of publication	2022
Journal volume	24
Journal issue	16
Pages of publication	2992 - 3004
a	9.0611 ± 0.0003 Å
b	9.2065 ± 0.0003 Å
c	10.5703 ± 0.0004 Å
α	82.436 ± 0.003°
β	77.672 ± 0.003°
γ	64.113 ± 0.003°
Cell volume	774.27 ± 0.05 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0159
Residual factor for significantly intense reflections	0.0158
Weighted residual factors for significantly intense reflections	0.0396
Weighted residual factors for all reflections included in the refinement	0.0397
Goodness-of-fit parameter for all reflections included in the refinement	1.063
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
282777 (current)	2023-04-20	cod/ (saulius@starta) Updating COD bibliographies for 271 COD entries identified by R.M.	1566631.cif
273761	2022-03-18	cif/ Adding structures of 1566629, 1566630, 1566631 via cif-deposit CGI script.	1566631.cif