Information card for entry 2004226

Structure parameters

• Chemical name: hexaammineruthenium(III)tristhiocyanate
• Formula: C3 D18 N9 Ru S3
• Calculated formula: C3 H24 N9 Ru S3
• Title of publication: [Ru(ND~3~)~6~](SCN)~3~ at 20 K by Time-of-Flight Neutron Diffraction
• Authors of publication: Reynolds, P. A.; Figgis, B. N.; Schultz, A. J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 12
• Pages of publication: 2517 - 2520
• a: 13.5 ± 0.02 Å
• b: 9.24 ± 0.02 Å
• c: 11.74 ± 0.02 Å
• α: 90°
• β: 104.4 ± 0.2°
• γ: 90°
• Cell volume: 1418 ± 5 ų
• Cell temperature: 20 K
• Ambient diffraction temperature: 20 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.133
• Residual factor for significantly intense reflections: 0.133
• Weighted residual factors for all reflections: 0.11
• Weighted residual factors for significantly intense reflections: 0.11
• Goodness-of-fit parameter for all reflections: 0.84
• Goodness-of-fit parameter for significantly intense reflections: 0.84
• Diffraction radiation probe: neutron
• Diffraction radiation type: Pulsed_neutron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No