Information card for entry 4075056

Structure parameters

• Common name: [{-CH2P(Ph)C(NHcy)(Ncy)}2]
• Formula: C40 H60 N4 P2
• Calculated formula: C40 H60 N4 P2
• SMILES: P(C(=N\C1CCCCC1)/NC1CCCCC1)(c1ccccc1)CCP(/C(=N\C1CCCCC1)NC1CCCCC1)c1ccccc1
• Title of publication: Coordination Chemistry of Isomeric Mixtures of Linked Di(phosphaguanidine) Compounds: A Spectroscopic and Crystallographic Study
• Authors of publication: Mansfield, Natalie E.; Coles, Martyn P.; Avent, Anthony G.; Hitchcock, Peter B.
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 10
• Pages of publication: 2470
• a: 9.2204 ± 0.0007 Å
• b: 10.0638 ± 0.0008 Å
• c: 11.1221 ± 0.0009 Å
• α: 110.804 ± 0.005°
• β: 97.381 ± 0.005°
• γ: 94.342 ± 0.004°
• Cell volume: 948.53 ± 0.13 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0861
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.1227
• Weighted residual factors for all reflections included in the refinement: 0.1353
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No