Information card for entry 7040669

Structure parameters

• Formula: C138 H200 N30 O52 Pd3 S12
• Calculated formula: C126 H156 N30 O42 Pd3 S6
• Title of publication: Recyclable scavengers for photo-cyclopropanation via an in situ crystallization process.
• Authors of publication: Lee, Haeri; Choi, Eunkyung; Noh, Tae Hwan; Jung, Ok-Sang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 46
• Pages of publication: 18476 - 18483
• a: 18.3794 ± 0.0005 Å
• b: 72.214 ± 0.002 Å
• c: 15.4212 ± 0.0005 Å
• α: 90°
• β: 110.933 ± 0.002°
• γ: 90°
• Cell volume: 19116.9 ± 1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.1889
• Residual factor for significantly intense reflections: 0.1288
• Weighted residual factors for significantly intense reflections: 0.3483
• Weighted residual factors for all reflections included in the refinement: 0.3732
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No