Information card for entry 7032123

Structure parameters

• Formula: C62 H86 Cl2 N4 P4
• Calculated formula: C62 H86 Cl2 N4 P4
• 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: 18.416 ± 0.004 Å
• b: 17.227 ± 0.003 Å
• c: 19.145 ± 0.004 Å
• α: 90°
• β: 92.03 ± 0.03°
• γ: 90°
• Cell volume: 6070 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1122
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for significantly intense reflections: 0.1644
• Weighted residual factors for all reflections included in the refinement: 0.1899
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.7109 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No