Information card for entry 4075058

Structure parameters

• Formula: C32 H54 Al2 N4 P2
• Calculated formula: C32 H54 Al2 N4 P2
• SMILES: P(CCP(c1ccccc1)C1=[N](C(C)C)[Al](N1C(C)C)(C)C)(c1ccccc1)C1=[N](C(C)C)[Al](N1C(C)C)(C)C
• 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: 13.0307 ± 0.0004 Å
• b: 13.0404 ± 0.0004 Å
• c: 45.5588 ± 0.0015 Å
• α: 83.446 ± 0.001°
• β: 82.619 ± 0.002°
• γ: 85.102 ± 0.002°
• Cell volume: 7607.6 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1375
• Residual factor for significantly intense reflections: 0.096
• Weighted residual factors for significantly intense reflections: 0.2187
• Weighted residual factors for all reflections included in the refinement: 0.2375
• Goodness-of-fit parameter for all reflections included in the refinement: 1.141
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No