Information card for entry 2311277

Structure parameters

• Formula: C21 H35 Cl N O2 P2 Re
• Calculated formula: C21 H35 Cl N O2 P2 Re
• Title of publication: Non-order-disorder allotwinning of the rhenium pincer complex cis-Re[(PNP^CH₂-iPr)(CO)₂Cl].
• Authors of publication: Glatz, Mathias; Stöger, Berthold; Kirchner, Karl
• Journal of publication: Acta crystallographica Section B, Structural science, crystal engineering and materials
• Year of publication: 2017
• Journal volume: 73
• Journal issue: Pt 5
• Pages of publication: 941 - 949
• a: 18.6854 ± 0.0013 Å
• b: 10.7708 ± 0.0008 Å
• c: 25.599 ± 0.003 Å
• α: 90°
• β: 107.48 ± 0.004°
• γ: 90°
• Cell volume: 4914.1 ± 0.8 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.105
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.0477
• Weighted residual factors for all reflections included in the refinement: 0.0526
• Goodness-of-fit parameter for significantly intense reflections: 2.03
• Goodness-of-fit parameter for all reflections included in the refinement: 1.71
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No