Information card for entry 7014365

Structure parameters

• Formula: C44 H37 N O2 P2 Pd S3
• Calculated formula: C44 H37 N O2 P2 Pd S3
• Title of publication: Unprecedented coordination of dithiocarbimate in multinuclear and heteroleptic complexes.
• Authors of publication: Singh, Bandana; Drew, Michael G. B.; Kociok-Kohn, Gabriele; Molloy, Kieran C.; Singh, Nanhai
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 3
• Pages of publication: 623 - 631
• a: 16.3447 ± 0.0002 Å
• b: 18.3512 ± 0.0002 Å
• c: 25.548 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7662.99 ± 0.15 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0685
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.0952
• Weighted residual factors for all reflections included in the refinement: 0.1095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No