Information card for entry 2212634

Structure parameters

• Chemical name: bis(acetonitrile-κN)octa-μ~3~selenido-tetrakis(triethylphosphine- κP)hexarhenium(III)
• Formula: C28 H66 F12 N2 P4 Re6 Sb2 Se8
• Calculated formula: C28 H66 F12 N2 P4 Re6 Sb2 Se8
• SMILES: C(C)[P](CC)(CC)[Re]1234567[Re]89%10%11%12%13([P](CC)(CC)CC)[Re]%14%15%16%171([N]#CC)([Se]4[Re]14%18%196%15([Se]2[Re]267%114([Se]38)([N]#CC)[Re]%10%141([P](CC)(CC)CC)([Se]%12%16)([Se]%17%18)([Se]%132)[Se]%196)[P](CC)(CC)CC)[Se]59.F[Sb](F)(F)([F-])(F)F.F[Sb](F)(F)([F-])(F)F
• Title of publication: Redetermination of bis(acetonitrile-κ<i>N</i>)octa-μ~3~-selenido-tetrakis(triethylphosphine-κ<i>P</i>)hexarhenium(III) at 150K
• Authors of publication: Orto, Peter J; Nichol, Gary S; Zheng, Zhiping
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 3
• Pages of publication: m678 - m679
• a: 13.01 ± 0.003 Å
• b: 17.155 ± 0.003 Å
• c: 13.438 ± 0.003 Å
• α: 90°
• β: 105.24 ± 0.03°
• γ: 90°
• Cell volume: 2893.7 ± 1.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• 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: 0.0374
• Residual factor for significantly intense reflections: 0.0235
• Weighted residual factors for significantly intense reflections: 0.0413
• Weighted residual factors for all reflections included in the refinement: 0.0448
• Goodness-of-fit parameter for all reflections included in the refinement: 1.144
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes