Crystallography Open Database

Information card for entry 1561065

Preview

Coordinates	1561065.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	As7 Ba1.77 I Sr0.23
Calculated formula	As7 Ba1.774 I Sr0.226
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	10.5195 ± 0.0007 Å
b	10.5195 ± 0.0007 Å
c	10.5195 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	1164.09 ± 0.13 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	4
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	0.014
Residual factor for significantly intense reflections	0.0129
Weighted residual factors for significantly intense reflections	0.0244
Weighted residual factors for all reflections included in the refinement	0.0246
Goodness-of-fit parameter for all reflections included in the refinement	1.126
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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