Information card for entry 1556498

Structure parameters

• Formula: C114 H140 Mg2 N4 O4 P4
• Calculated formula: C98 H108 Mg2 N4 P4
• SMILES: P1(=[N]([Mg]23[N](=P(C24P(=[N]([Mg]42[N](=P(C132)(c1ccccc1)c1ccccc1)c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)(c1ccccc1)c1ccccc1
• Title of publication: Methanediide Formation via Hydrogen Elimination in Magnesium versus Aluminium Hydride Complexes of a Sterically Demanding Bis(iminophosphoranyl)methanediide
• Authors of publication: Sindlinger, C.P.; Lawrence, S.R.; Cordes, D.B.; Slawin, A.M.Z.; Stasch, A.
• Journal of publication: Inorganics
• Year of publication: 2017
• Journal volume: 5
• Pages of publication: 29
• a: 13.51 ± 0.003 Å
• b: 14.4 ± 0.003 Å
• c: 29.43 ± 0.006 Å
• α: 100.84 ± 0.03°
• β: 100.81 ± 0.03°
• γ: 100.62 ± 0.03°
• Cell volume: 5379 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1198
• Residual factor for significantly intense reflections: 0.0779
• Weighted residual factors for significantly intense reflections: 0.2065
• Weighted residual factors for all reflections included in the refinement: 0.228
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.7108 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No