Information card for entry 7018239

Structure parameters

• Formula: C43 H70 B2 N4
• Calculated formula: C43 H70 B2 N4
• SMILES: N1(C(N(C=C1)c1c(cccc1C(C)C)C(C)C)=[B](CC)(CC)CC)CN1C(N(C=C1)c1c(cccc1C(C)C)C(C)C)=[B](CC)(CC)CC
• Title of publication: Synthesis and solvent dependent reactivity of chelating bis-N-heterocyclic carbene complexes of Fe((II)) hydrides.
• Authors of publication: Zlatogorsky, Sergey; Ingleson, Michael J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 9
• Pages of publication: 2685 - 2693
• a: 13.8268 ± 0.0006 Å
• b: 9.5632 ± 0.0005 Å
• c: 31.8206 ± 0.0017 Å
• α: 90°
• β: 98.163 ± 0.005°
• γ: 90°
• Cell volume: 4165 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.1475
• Residual factor for significantly intense reflections: 0.0939
• Weighted residual factors for significantly intense reflections: 0.2496
• Weighted residual factors for all reflections included in the refinement: 0.2728
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No