Information card for entry 4315784

Structure parameters

• Formula: In P3 Rb6 S14
• Calculated formula: In P3 Rb6 S14
• SMILES: P1(S[In]23(SP(S2)(=S)[S-])(SS1)SSP(S3)(=S)[S-])(=S)[S-].[Rb+].[Rb+].[Rb+].[Rb+].[Rb+].[Rb+]
• Title of publication: Synthesis of Alkali Metal Indium Thiophosphates Containing the Discrete Anions [In(PS4)(PS5)2]6- and [In(PS4)2(PS5)]6-
• Authors of publication: Alexander Rothenberger; Collin Morris; Mercouri G. Kanatzidis
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 5598 - 5602
• a: 19.6954 ± 0.0016 Å
• b: 10.9763 ± 0.0008 Å
• c: 13.0537 ± 0.0012 Å
• α: 90°
• β: 107.539 ± 0.006°
• γ: 90°
• Cell volume: 2690.8 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0777
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.1224
• Weighted residual factors for all reflections included in the refinement: 0.1306
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No