Information card for entry 1556512

Structure parameters

• Chemical name: 'Tetra-μ-iodo-bis((1,3-bis(3,5,3'',5''-tetramethyl-1,1':3';1''- terphenyl-2'))(triazenido-N,N''))trimagnesium'
• Formula: C88 H84 I4 Mg3 N6
• Calculated formula: C88 H84 I4 Mg3 N6
• SMILES: [Mg]12([I][Mg]3([I][Mg]4([I]3)[N](=NN4c3c(cccc3c3cc(cc(c3)C)C)c3cc(cc(c3)C)C)c3c(cccc3c3cc(cc(c3)C)C)c3cc(cc(c3)C)C)[I]1)[N](=NN2c1c(cccc1c1cc(cc(c1)C)C)c1cc(cc(c1)C)C)c1c(cccc1c1cc(cc(c1)C)C)c1cc(cc(c1)C)C
• Title of publication: Hetero- and Homoleptic Magnesium Triazenides
• Authors of publication: Vindus, D.; Niemeyer, M.
• Journal of publication: Inorganics
• Year of publication: 2017
• Journal volume: 5
• Pages of publication: 33
• a: 16.9933 ± 0.0005 Å
• b: 17.5771 ± 0.0005 Å
• c: 17.8005 ± 0.0005 Å
• α: 93.427 ± 0.002°
• β: 99.534 ± 0.002°
• γ: 109.991 ± 0.002°
• Cell volume: 4888.5 ± 0.3 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: 0.0876
• Residual factor for significantly intense reflections: 0.0674
• Weighted residual factors for significantly intense reflections: 0.1305
• Weighted residual factors for all reflections included in the refinement: 0.1344
• Goodness-of-fit parameter for all reflections included in the refinement: 1.921
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No