Information card for entry 7045849

Structure parameters

• Formula: C51 H97 B F4 N O P5 Re6 Se8
• Calculated formula: C51 H97 B F4 N O P5 Re6 Se8
• Title of publication: Small molecule activation of nitriles coordinated to the [Re₆Se₈]²⁺ core: formation of oxazine, oxazoline and carboxamide complexes.
• Authors of publication: Chin, Colleen P.; Ren, YiXin; Berry, Joan; Knott, Stanley A.; McLauchlan, Craig C.; Szczepura, Lisa F.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 13
• Pages of publication: 4653 - 4660
• a: 29.181 ± 0.003 Å
• b: 13.3905 ± 0.0016 Å
• c: 37.295 ± 0.004 Å
• α: 90°
• β: 97.3133 ± 0.0015°
• γ: 90°
• Cell volume: 14454 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 9
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0629
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0634
• Weighted residual factors for all reflections included in the refinement: 0.0792
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No