Information card for entry 1561069

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 ų
• 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 Fobs: No