Information card for entry 7126854

Structure parameters

• Formula: C56 H52 Cl2 O4 Pd Se2
• Calculated formula: C56 H52 Cl2 O4 Pd Se2
• Title of publication: A selenium-coordinated palladium(ii) trans-dichloride molecular rotor as a catalyst for site-selective annulation of 2-arylimidazo[1,2-a]pyridines.
• Authors of publication: Meena, Neha; Sharma, Shobha; Bhatt, Ramprasad; Shinde, Vikki N.; Sunda, Anurag Prakash; Bhuvanesh, Nattamai; Kumar, Anil; Joshi, Hemant
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 70
• Pages of publication: 10223 - 10226
• a: 8.2319 ± 0.0004 Å
• b: 10.9599 ± 0.0005 Å
• c: 14.1131 ± 0.0008 Å
• α: 101.732 ± 0.002°
• β: 100.174 ± 0.002°
• γ: 97.026 ± 0.002°
• Cell volume: 1210.44 ± 0.11 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0352
• Residual factor for significantly intense reflections: 0.0253
• Weighted residual factors for significantly intense reflections: 0.0491
• Weighted residual factors for all reflections included in the refinement: 0.0547
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No