Information card for entry 4086966

Structure parameters

• Formula: C43 H30 B F12 Mg N7 Si2
• Calculated formula: C43 H30 B F12 Mg N7 Si2
• SMILES: C[SiH](C)N([Mg]12[n]3c(c4c(c(c(c(c4F)F)F)F)n3[BH](n3c4c(c(c5ccccc5)[n]13)c(c(c(c4F)F)F)F)n1c3c(c(c4ccccc4)[n]21)c(c(c(c3F)F)F)F)c1ccccc1)[SiH](C)C
• Title of publication: Highly Fluorinated Tris(indazolyl)borate Hydrocarbyl Complexes of Calcium and Magnesium: Synthesis and Structural Studies
• Authors of publication: Romero, Nuria; Dufrois, Quentin; Vendier, Laure; Dinoi, Chiara; Etienne, Michel
• Journal of publication: Organometallics
• Year of publication: 2017
• Journal volume: 36
• Journal issue: 3
• Pages of publication: 564
• a: 18.077 ± 0.002 Å
• b: 23.259 ± 0.003 Å
• c: 20.616 ± 0.003 Å
• α: 90°
• β: 99.717 ± 0.004°
• γ: 90°
• Cell volume: 8543.7 ± 1.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0374
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0851
• Weighted residual factors for all reflections included in the refinement: 0.0914
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No