Crystallography Open Database

Information card for entry 4348406

Preview

Coordinates	4348406.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C102 H86 N4 S15 Zn8
Calculated formula	C102 H86 N4 S15 Zn8
SMILES	[Zn]12(Sc3ccccc3)[S]([Zn]34[S]([Zn]5([S]([Zn]6([S]2c2ccccc2)[S]([Zn]2([S]([Zn]7([S]1c1ccccc1)[S]([Zn]([S]3c1ccccc1)(Sc1ccccc1)[S]([Zn]([S]2c1ccccc1)([S]5c1ccccc1)S467)c1ccccc1)c1ccccc1)c1ccccc1)[n]1cccc2c1cccc2N)c1ccccc1)c1ccccc1)[n]1cccc2c(N)cccc12)c1ccccc1)c1ccccc1
Title of publication	Construction of a series of zero-dimensional/one-dimensional crystalline Zn‒S clusters ‒ effect of the character of bridging organic ligands on structural diversity
Authors of publication	Zeng, Xianghua; Yao, Xiaojing; Zhang, Junyong; Zhang, Qi; Wu, Wenqian; Chai, Aihua; Wang, Jinlan; Zeng, Qingdao; Xie, Jingli
Journal of publication	Inorganic Chemistry Frontiers
Year of publication	2015
Journal volume	2
Journal issue	2
Pages of publication	164
a	25.4629 ± 0.0019 Å
b	13.3084 ± 0.001 Å
c	29.022 ± 0.002 Å
α	90°
β	98.821 ± 0.004°
γ	90°
Cell volume	9718.4 ± 1.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1212
Residual factor for significantly intense reflections	0.1046
Weighted residual factors for significantly intense reflections	0.3357
Weighted residual factors for all reflections included in the refinement	0.3497
Goodness-of-fit parameter for all reflections included in the refinement	1.007
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
232903 (current)	2019-11-23	cif/ Adding structures of 4348404, 4348405, 4348406, 4348407, 4348408, 4348409, 4348410, 4348411 via cif-deposit CGI script.	4348406.cif