Information card for entry 4064615

Structure parameters

• Formula: C44 H62 B4 Fe2 N4 Si2
• Calculated formula: C44 H62 B4 Fe2 N4 Si2
• SMILES: B1(C(=C(B([c]23[cH]4[cH]5[cH]6[cH]2[Fe]27893456[c]31[cH]2[cH]7[cH]8[cH]93)N(C)C)[Si](C)(C)C)c1ccc(cc1)C1=C(B([c]23[cH]4[cH]5[cH]6[cH]2[Fe]27893456[c]3(B1N(C)C)[cH]2[cH]7[cH]8[cH]93)N(C)C)[Si](C)(C)C)N(C)C
• Title of publication: Diboration of Dialkynes with [2]Boraferrocenophanes
• Authors of publication: Bauer, Florian; Braunschweig, Holger; Gruss, Katrin; Kupfer, Thomas
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 10
• Pages of publication: 2869
• a: 12.97 ± 0.002 Å
• b: 14.376 ± 0.002 Å
• c: 14.832 ± 0.002 Å
• α: 98.219 ± 0.002°
• β: 112.305 ± 0.002°
• γ: 110.796 ± 0.002°
• Cell volume: 2265.3 ± 0.6 ų
• Cell temperature: 167 ± 2 K
• Ambient diffraction temperature: 167 ± 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: 0.0815
• Residual factor for significantly intense reflections: 0.0651
• Weighted residual factors for significantly intense reflections: 0.1428
• Weighted residual factors for all reflections included in the refinement: 0.1511
• Goodness-of-fit parameter for all reflections included in the refinement: 1.201
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No