Crystallography Open Database

Information card for entry 7243167

Preview

Coordinates	7243167.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Di-u-methoxy-bis[chlorido(dimethylsulfoxide-κO) (1,3,5-triazine-2,4,6-triamine-κN1)copper(II)(Cu-Cu)]
Formula	C6 H15 Cl Cu N6 O2 S
Calculated formula	C6 H15 Cl Cu N6 O2 S
Title of publication	Crystal engineering with copper and melamine
Authors of publication	Bernabé Vírseda, Ignacio; Siddiqui, Shiraz Ahmed; Prado-Roller, Alexander; Eisterer, Michael; Shiozawa, Hidetsugu
Journal of publication	RSC Advances
Year of publication	2021
Journal volume	11
Journal issue	39
Pages of publication	23943 - 23947
a	10.4677 ± 0.0014 Å
b	11.58 ± 0.002 Å
c	14.375 ± 0.003 Å
α	106.116 ± 0.008°
β	99.25 ± 0.008°
γ	102.092 ± 0.008°
Cell volume	1591.8 ± 0.5 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 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	0.0617
Residual factor for significantly intense reflections	0.0499
Weighted residual factors for significantly intense reflections	0.1299
Weighted residual factors for all reflections included in the refinement	0.1353
Goodness-of-fit parameter for all reflections included in the refinement	1.104
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
267366 (current)	2021-07-08	cif/ Adding structures of 7243166, 7243167 via cif-deposit CGI script.	7243167.cif