Crystallography Open Database

Information card for entry 8106090

Preview

Coordinates	8106090.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H42 Cd2 N10 O16 S2
Calculated formula	C24 H42 Cd2 N10 O16 S2
Title of publication	Crystal structure of cyclo[hexaqua-bis[1-[(2-ethyl-1H-imidazol-1-yl) methyl]-1H-benzotriazole-κ2 N:N′]-bis(sulfato-κ1 O)dicadmium(II)] monohydrate, C24H42Cd2N10O16S2
Authors of publication	Wang, Xia; Li, Han-Bing; Cheng, Di; Zhang, Shu-Ling
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2018
Journal volume	233
Journal issue	2
Pages of publication	177 - 178
a	8.2977 ± 0.0005 Å
b	10.2955 ± 0.0006 Å
c	12.0979 ± 0.0009 Å
α	103.879 ± 0.006°
β	100.039 ± 0.006°
γ	104.567 ± 0.005°
Cell volume	940.31 ± 0.12 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291.15 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	0.0325
Residual factor for significantly intense reflections	0.0282
Weighted residual factors for significantly intense reflections	0.0699
Weighted residual factors for all reflections included in the refinement	0.0745
Goodness-of-fit parameter for all reflections included in the refinement	1.012
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
279284 (current)	2022-11-15	cif/ Adding structures of 8106090 via cif-deposit CGI script.	8106090.cif