Information card for entry 4310198

Structure parameters

• Formula: C15 H18 Mn3 O6 S6
• Calculated formula: C15 H18 Mn3 O6 S6
• Title of publication: Dithiolate Complexes of Manganese and Rhenium: X-ray Structure and Properties of an Unusual Mixed Valence Cluster Mn3(CO)6(μ-η2-SCH2CH2CH2S)3
• Authors of publication: Noorjahan Begum; Md. Iqbal Hyder; Shariff E. Kabir; G. M. Golzar Hossain; Ebbe Nordlander; Dalia Rokhsana; Edward Rosenberg
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 9887 - 9894
• a: 14.757 ± 0.002 Å
• b: 14.757 ± 0.002 Å
• c: 10.72 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2334.5 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.031
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0738
• Weighted residual factors for all reflections included in the refinement: 0.0743
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No