Crystallography Open Database

Information card for entry 1561603

Preview

Coordinates	1561603.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H40 As2 Mn3 N8 S8
Calculated formula	C12 H40 As2 Mn3 N8 S8
SMILES	[As]1(=S)([S-])S[Mn]2([NH2]C[C@H]([NH2]2)C)S[As]2(=S)S[Mn]3(S1)([NH2]C[C@@H]([NH2]3)C)S[As]1(=S)S[Mn]3(S2)([NH2]C[C@H]([NH2]3)C)S[As]([S-])(=S)S[Mn]2(S1)[NH2]C[C@@H]([NH2]2)C.[Mn]12([NH2]C[C@H]([NH2]2)C)[NH2][C@@H](C)C[NH2]1.[Mn]12([NH2]C[C@H]([NH2]2)C)[NH2][C@@H](C)C[NH2]1
Title of publication	Unsaturated Mn complex decorated hybrid thioarsenates: Syntheses, crystal structures and physical properties
Authors of publication	Yue, Cheng-Yang; Lei, Xiao-Wu; Tian, Ya-Wei; Xu, Jing; Bai, Yi-Qun; Wang, Fei; Zhou, Peng-Fei; Liu, Xiao-Fan; Yi, Fei-Yan
Journal of publication	Journal of Solid State Chemistry
Year of publication	2016
Journal volume	235
Pages of publication	183 - 192
a	6.9653 ± 0.0005 Å
b	10.4907 ± 0.0008 Å
c	10.9343 ± 0.0008 Å
α	86.688 ± 0.001°
β	87.022 ± 0.001°
γ	87.187 ± 0.001°
Cell volume	795.72 ± 0.1 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	0.0347
Residual factor for significantly intense reflections	0.0268
Weighted residual factors for significantly intense reflections	0.0635
Weighted residual factors for all reflections included in the refinement	0.0667
Goodness-of-fit parameter for all reflections included in the refinement	1.019
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
264010 (current)	2021-04-09	cif/ Adding structures of 1561602, 1561603, 1561604 via cif-deposit CGI script.	1561603.cif