Information card for entry 4065795

Structure parameters

• Formula: C56 H132 Mg2 N18 O2 P6
• Calculated formula: C56 H132 Mg2 N18 O2 P6
• SMILES: [O]1(CCCC1)[Mg]12[N]3=P4(N=P(N=P3(N(CC(C)C)[Mg]([N]3=P(N=P(N=P3(N2CC(C)C)NCC(C)C)(NCC(C)C)NCC(C)C)(N1CC(C)C)NCC(C)C)(N4CC(C)C)[O]1CCCC1)NCC(C)C)(NCC(C)C)NCC(C)C)NCC(C)C
• Title of publication: Magnesium and Titanium Complexes of Polyanionic Phosphazenate Ligands
• Authors of publication: Boomishankar, Ramamoorthy; Richards, Philip I.; Gupta, Arvind K.; Steiner, Alexander
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 11
• Pages of publication: 2515
• a: 13.088 ± 0.006 Å
• b: 13.533 ± 0.006 Å
• c: 13.655 ± 0.006 Å
• α: 100.74 ± 0.008°
• β: 111.112 ± 0.009°
• γ: 115.064 ± 0.007°
• Cell volume: 1872.2 ± 1.5 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.042
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.1026
• Weighted residual factors for all reflections included in the refinement: 0.1056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No