Information card for entry 7045407

Structure parameters

• Formula: C68 H86 Fe2 N10
• Calculated formula: C68 H86 Fe2 N10
• SMILES: n12[n](c(cc1)C(C)(C)C)[Fe]134[c]5(cc(nn5c5cc(cc6c5n3c3c6cc(cc23)C(C)(C)C)C(C)(C)C)C(C)(C)C)[Fe]234[c]41cc(nn4c1cc(cc4c1n2c1c4cc(cc1n1[n]3c(cc1)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C
• Title of publication: Synthesis and characterization of an iron complex bearing a hemilabile NNN-pincer for catalytic hydrosilylation of organic carbonyl compounds.
• Authors of publication: Lin, Hsiu-Jung; Lutz, Sean; O'Kane, Catherine; Zeller, Matthias; Chen, Chun-Hsing; Al Assil, Talal; Lee, Wei-Tsung
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 10
• Pages of publication: 3243 - 3247
• a: 10.6257 ± 0.0007 Å
• b: 11.7461 ± 0.0007 Å
• c: 13.373 ± 0.0009 Å
• α: 108.574 ± 0.003°
• β: 101.586 ± 0.004°
• γ: 98.224 ± 0.004°
• Cell volume: 1510.91 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0678
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.1283
• Weighted residual factors for all reflections included in the refinement: 0.1383
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No