Information card for entry 2238182

Structure parameters

• Chemical name: Bis{[2,2'-(5,8,11-trithia-2,14-diazapentadeca-1,14-diene-1,15-diyl)diphenolato]palladium(II)}{ acetonitrile hemisolvate
• Formula: C46 H55 N5 O4 Pd2 S6
• Calculated formula: C46 H55 N5 O4 Pd2 S6
• Title of publication: Bis{[2,2'-(5,8,11-trithia-2,14-diazapentadeca-1,14-diene-1,15-diyl)diphenolato]palladium(II)} acetonitrile monosolvate
• Authors of publication: Dawe, Louise Nicole; Adhikary, Bibhutosh; Collins, Julie L.; Lucas, C. Robert
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 7
• Pages of publication: m360 - m361
• a: 14.7232 ± 0.0005 Å
• b: 16.2151 ± 0.0005 Å
• c: 20.9433 ± 0.0008 Å
• α: 90°
• β: 106.087 ± 0.001°
• γ: 90°
• Cell volume: 4804.2 ± 0.3 ų
• Cell temperature: 153.15 K
• Ambient diffraction temperature: 153.15 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: 0.0423
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.1031
• Weighted residual factors for all reflections included in the refinement: 0.1043
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes