Information card for entry 4105337

Structure parameters

• Common name: ClBPSSEt
• Formula: C7 H5 Cl N3 Se4
• Calculated formula: C7 H5 Cl N3 Se4
• SMILES: C12=N[Se][Se]C1=C(C1[Se][Se][N]C=1N2CC)Cl
• Title of publication: Heavy Atom Ferromagnets under Pressure: Structural Changes and the Magnetic Response
• Authors of publication: Masaki Mito; Yuki Komorida; Hideki Tsuruda; John S. Tse; Serge Desgreniers; Yauso Ohishi; Alicea A. Leitch; Kristina Cvrkalj; Craig M. Robertson; Richard T. Oakley
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 16012 - 16013
• a: 16.09457 ± 0.00026 Å
• b: 16.09457 Å
• c: 3.98958 ± 0.00008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1033.44 ± 0.03 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 113
• Hermann-Mauguin space group symbol: P -4 21 m
• Hall space group symbol: P -4 2ab
• RFsqd: 0.18414
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.51446 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes