Information card for entry 7045848

Structure parameters

• Formula: C35 H84 B2 F8 N O P5 Re6 Se8
• Calculated formula: C35 H84 B2 F8 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: 12.0673 ± 0.0013 Å
• b: 20.309 ± 0.002 Å
• c: 12.8377 ± 0.0014 Å
• α: 90°
• β: 94.218 ± 0.001°
• γ: 90°
• Cell volume: 3137.7 ± 0.6 ų
• Cell temperature: 181 ± 2 K
• Ambient diffraction temperature: 181 ± 2 K
• Number of distinct elements: 9
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0468
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.076
• Weighted residual factors for all reflections included in the refinement: 0.083
• 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: Yes
• Has Fobs: No