Information card for entry 4331980

Structure parameters

• Formula: C44 H55 B Ir N8 O P S3
• Calculated formula: C44 H55 B Ir N8 O P S3
• Title of publication: Synthesis and Structural Characterization of [κ3-B,S,S-B(mimR)3]Ir(CO)(PPh3)H (R = But, Ph) and [κ4-B(mimBut)3]M(PPh3)Cl (M = Rh, Ir): Analysis of the Bonding in Metal Borane Compounds
• Authors of publication: Landry, Victoria K.; Melnick, Jonathan G.; Buccella, Daniela; Pang, Keliang; Ulichny, Joseph C.; Parkin, Gerard
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 6
• Pages of publication: 2588 - 2597
• a: 11.2473 ± 0.0006 Å
• b: 14.3006 ± 0.0008 Å
• c: 16.423 ± 0.001 Å
• α: 99.379 ± 0.001°
• β: 97 ± 0.001°
• γ: 103.366 ± 0.001°
• Cell volume: 2500.4 ± 0.2 ų
• Cell temperature: 243 ± 2 K
• Ambient diffraction temperature: 243 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0328
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0815
• Weighted residual factors for all reflections included in the refinement: 0.0833
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No