Information card for entry 2209904

Structure parameters

• Chemical name: Bis[(1Z,3Z)-1,3-bis(4-fluorophenyl)-N,N'-diphenylpropanediiminato]magnesium(II)
• Formula: C54 H38 F4 Mg N4
• Calculated formula: C54 H38 F4 Mg N4
• SMILES: C1(=CC(=[N]([Mg]2(N1c1ccccc1)[N](=C(C=C(N2c1ccccc1)c1ccc(F)cc1)c1ccc(F)cc1)c1ccccc1)c1ccccc1)c1ccc(cc1)F)c1ccc(F)cc1
• Title of publication: Bis[(1<i>Z</i>,3<i>Z</i>)-1,3-bis(4-fluorophenyl)-<i>N</i>,<i>N</i>'-diphenylpropanediiminato]magnesium(II)
• Authors of publication: Huang, Bor-Hunn; Peng, Ya-Liu; Lin, Chu-Chieh
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 8
• Pages of publication: m1977 - m1978
• a: 22.0564 ± 0.0015 Å
• b: 10.5743 ± 0.0007 Å
• c: 19.4356 ± 0.0013 Å
• α: 90°
• β: 106.201 ± 0.001°
• γ: 90°
• Cell volume: 4353 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0918
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.0935
• Weighted residual factors for all reflections included in the refinement: 0.1128
• Goodness-of-fit parameter for all reflections included in the refinement: 0.905
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes