Information card for entry 7112335

Structure parameters

• Formula: C67 H56 B2 F24 Fe N2 O2
• Calculated formula: C67 H56 B2 F24 Fe N2 O2
• Title of publication: Coordinative trapping of the boron β-diketiminato system [B(NMesCMe)2CH] via metal-templated synthesis
• Authors of publication: Firinci, Erkan; Bates, Joshua I.; Riddlestone, Ian M.; Phillips, Nicholas; Aldridge, Simon
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2013
• Journal volume: 49
• Journal issue: 15
• Pages of publication: 1509 - 1511
• a: 12.1918 ± 0.0003 Å
• b: 16.3393 ± 0.0004 Å
• c: 17.0192 ± 0.0005 Å
• α: 87.9149 ± 0.0009°
• β: 87.6232 ± 0.0009°
• γ: 78.9774 ± 0.001°
• Cell volume: 3323.51 ± 0.15 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1026
• Residual factor for significantly intense reflections: 0.0714
• Weighted residual factors for all reflections: 0.1827
• Weighted residual factors for significantly intense reflections: 0.1546
• Weighted residual factors for all reflections included in the refinement: 0.1827
• Goodness-of-fit parameter for all reflections included in the refinement: 0.8912
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7108848
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No