Information card for entry 7012919

Structure parameters

• Common name: [W(CO)4{PPh2C(Ncy)(NHcy)}]
• Formula: C29 H33 N2 O4 P W
• Calculated formula: C29 H33 N2 O4 P W
• SMILES: [W]1([P](C(=[N]1C1CCCCC1)NC1CCCCC1)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])(C#[O])C#[O]
• 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: 32.0487 ± 0.0003 Å
• b: 9.474 ± 0.0001 Å
• c: 21.3526 ± 0.0003 Å
• α: 90°
• β: 118.084 ± 0.001°
• γ: 90°
• Cell volume: 5719.93 ± 0.13 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• 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: 0.0268
• Residual factor for significantly intense reflections: 0.0221
• Weighted residual factors for significantly intense reflections: 0.0509
• Weighted residual factors for all reflections included in the refinement: 0.0529
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No