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Information card for entry 4315784
Preview
Coordinates | 4315784.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | In P3 Rb6 S14 |
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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 Å3 |
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 |
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