Information card for entry 7038472

Structure parameters

• Formula: C110 H81 Br4 Cl2 N13 O2 P4 Rh2
• Calculated formula: C110 H81 Br4 Cl2 N13 O2 P4 Rh2
• Title of publication: RhCl(PPh3)3-mediated C-H oxyfunctionalization of pyrrolido-functionalized bisazoaromatic pincers: a combined experimental and theoretical scrutiny of redox-active and spectroscopic properties.
• Authors of publication: Ghorui, Tapas; Roy, Sima; Pramanik, Shuvam; Pramanik, Kausikisankar
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 13
• Pages of publication: 5720 - 5729
• a: 31.485 ± 0.0011 Å
• b: 16.3476 ± 0.0005 Å
• c: 19.352 ± 0.0006 Å
• α: 90°
• β: 99.332 ± 0.001°
• γ: 90°
• Cell volume: 9828.7 ± 0.5 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 8
• 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: 0.0741
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1043
• Weighted residual factors for all reflections included in the refinement: 0.1198
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No