Information card for entry 7032119

Structure parameters

• Formula: C31 H43 Cl2 N2
• Calculated formula: C31 H43 Cl2 N2
• Title of publication: Expanded ring N-heterocyclic carbene adducts of group 15 element trichlorides: synthesis and reduction studies.
• Authors of publication: Sidiropoulos, Anastas; Osborne, Brooke; Simonov, Alexandr N.; Dange, Deepak; Bond, Alan M.; Stasch, Andreas; Jones, Cameron
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 39
• Pages of publication: 14858 - 14864
• a: 20.472 ± 0.004 Å
• b: 14.638 ± 0.003 Å
• c: 21.347 ± 0.004 Å
• α: 90°
• β: 115.09 ± 0.03°
• γ: 90°
• Cell volume: 5793 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0978
• Residual factor for significantly intense reflections: 0.091
• Weighted residual factors for significantly intense reflections: 0.2475
• Weighted residual factors for all reflections included in the refinement: 0.2531
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.7108 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No