Information card for entry 7113252

Structure parameters

• Formula: C49 H96 I Li N9 O3 P3
• Calculated formula: C49 H96 I Li N9 O3 P3
• SMILES: I[Li]([N](=P1(N(P(=NP(=N1)(NC1CCCCC1)NC1CCCCC1)(NC1CCCCC1)NC1CCCCC1)C)NC1CCCCC1)C1CCCCC1)([O]1CCCC1)[O]1CCCC1.O1CCCC1
• Title of publication: Zwitterionic phosphazenium phosphazenate ligands
• Authors of publication: Benson, Mark A.; Ledger, Joanne; Steiner, Alexander
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2007
• Journal issue: 37
• Pages of publication: 3823 - 3825
• a: 13.1903 ± 0.0016 Å
• b: 14.2766 ± 0.0017 Å
• c: 17.645 ± 0.002 Å
• α: 100.961 ± 0.002°
• β: 100.643 ± 0.002°
• γ: 113.484 ± 0.002°
• Cell volume: 2864.1 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0805
• Residual factor for significantly intense reflections: 0.0683
• Weighted residual factors for significantly intense reflections: 0.1766
• Weighted residual factors for all reflections included in the refinement: 0.1854
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7102144
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No