Information card for entry 7012916

Structure parameters

• Common name: [Ph2PC(NHCy)(NCy)]
• Formula: C25 H33 N2 P
• Calculated formula: C25 H33 N2 P
• SMILES: P(C(=N\C1CCCCC1)/NC1CCCCC1)(c1ccccc1)c1ccccc1
• Title of publication: Synthesis and coordination chemistry of neutral phospha(iii)guanidines. Formation of 1-aza-3-phospha-4-metallacyclobut-1-ene rings at group 6 metalsElectronic supplementary information (ESI) available: an ORTEP representation and bond lengths and angles for 3a; crystal structure and refinement data, bond lengths and angles and an ORTEP representation of the molecular structure of Mo(CO)4(pip)2. See http://www.rsc.org/suppdata/dt/b3/b302554c/
• Authors of publication: Grundy, Joanna; Coles, Martyn P.; Hitchcock, Peter B.
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 12
• Pages of publication: 2573
• a: 9.0943 ± 0.0002 Å
• b: 11.6147 ± 0.0002 Å
• c: 21.0144 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2219.7 ± 0.08 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0406
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0751
• Weighted residual factors for all reflections included in the refinement: 0.0778
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No