Crystallography Open Database

Information card for entry 1561069

Preview

Coordinates	1561069.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	As7 I Sr2
Calculated formula	As7 I Sr2
SMILES	[I-].[Sr+2].[Sr+2].[As]12[As][As]3[As][As]1[As]2[As]3
Title of publication	Eu2P7X and Ba2As7X (X = Br, I): Chiral double-Zintl salts containing heptapnictotricyclane clusters
Authors of publication	Dolyniuk, Juli-Anna; Lee, Shannon; Tran, Nhon; Wang, Jian; Wang, Lin-Lin; Kovnir, Kirill
Journal of publication	Journal of Solid State Chemistry
Year of publication	2018
Journal volume	263
Pages of publication	195 - 202
a	10.261 ± 0.006 Å
b	10.261 ± 0.006 Å
c	10.261 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	1080.4 ± 1.1 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	3
Space group number	198
Hermann-Mauguin space group symbol	P 21 3
Hall space group symbol	P 2ac 2ab 3
Residual factor for all reflections	0.0594
Residual factor for significantly intense reflections	0.0406
Weighted residual factors for significantly intense reflections	0.0743
Weighted residual factors for all reflections included in the refinement	0.0814
Goodness-of-fit parameter for all reflections included in the refinement	1.044
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
263083 (current)	2021-03-17	cif/ Adding structures of 1561064, 1561065, 1561066, 1561067, 1561068, 1561069 via cif-deposit CGI script.	1561069.cif