Information card for entry 4077956

Structure parameters

• Formula: C38 H60 Cr P2 Pd
• Calculated formula: C38 H60 Cr P2 Pd
• SMILES: [Cr]123456789%10%11[c]%12([cH]1[cH]2[cH]3[cH]4%12)[P]([Pd](C)(C)[P](C15[CH]6=[CH]7[CH]8=[CH]9[CH]%10=[CH]%111)(C1CCCCC1)C1CCCCC1)(C1CCCCC1)C1CCCCC1
• Title of publication: Synthesis and Reactivity of Palladium- and Platinum-Bridged Heterobimetallic [3]Trochrocenophanes
• Authors of publication: Braunschweig, Holger; Friedrich, Maria; Radacki, Krzysztof; Wolf, Justin
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 8
• Pages of publication: 3027
• a: 11.268 ± 0.0014 Å
• b: 16.9992 ± 0.0018 Å
• c: 17.921 ± 0.002 Å
• α: 90°
• β: 95.335 ± 0.006°
• γ: 90°
• Cell volume: 3417.8 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0243
• Residual factor for significantly intense reflections: 0.021
• Weighted residual factors for significantly intense reflections: 0.0505
• Weighted residual factors for all reflections included in the refinement: 0.052
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No