Information card for entry 7100426

Structure parameters

• Common name: [NHC2P][Cl]
• Formula: C29 H48 Cl N4 P
• Calculated formula: C29 H48 Cl N4 P
• SMILES: P(=C1N(C(=C(N1C(C)C)C)C)C(C)C)c1n(c(c([n+]1C(C)C)C)C)C(C)C.[Cl-].c1ccccc1C
• Title of publication: The synthesis, characterisation and electronic structure of N-heterocyclic carbene adducts of P(I)
• Authors of publication: Charles L. B. Macdonald; Andreas Decken; C. Adam Dyker; Bobby D. Ellis
• Journal of publication: Chemical Communications
• Year of publication: 2005
• a: 10.134 ± 0.003 Å
• b: 12.243 ± 0.003 Å
• c: 13.037 ± 0.003 Å
• α: 103.358 ± 0.004°
• β: 99.906 ± 0.005°
• γ: 100.772 ± 0.004°
• Cell volume: 1506.3 ± 0.7 ų
• Cell temperature: 198 ± 2 K
• Ambient diffraction temperature: 198 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No