Crystallography Open Database

Information card for entry 8105569

Preview

Coordinates	8105569.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H74 Cd Cl6 N12 O4
Calculated formula	C60 H72 Cd Cl6 N12 O4
Title of publication	Crystal structure of dichloro-tetrakis[(E)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pent-1-en-3-ol-κN]cadmium (II), C60H74CdCl6N12O4
Authors of publication	Huang, Jian-Ping; Cheng, Li; Huang, Ying; Song, Xiu-Ying; Kang, Nian-Qian; Nie, Xu-Liang
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2018
Journal volume	234
Journal issue	1
Pages of publication	141 - 143
a	9.1036 ± 0.0018 Å
b	13.197 ± 0.003 Å
c	15.035 ± 0.003 Å
α	93.716 ± 0.002°
β	99.904 ± 0.002°
γ	104.928 ± 0.002°
Cell volume	1708 ± 0.6 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 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	0.0288
Residual factor for significantly intense reflections	0.0258
Weighted residual factors for significantly intense reflections	0.0661
Weighted residual factors for all reflections included in the refinement	0.0684
Goodness-of-fit parameter for all reflections included in the refinement	1.036
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
276401 (current)	2022-06-29	cif/ Adding structures of 8105569 via cif-deposit CGI script.	8105569.cif