Information card for entry 4080282

Structure parameters

• Formula: C30 H54 Fe Ho I N2 O2 Si2
• Calculated formula: C30 H54 Fe Ho I N2 O2 Si2
• SMILES: [Fe]12345678([c]9([cH]5[cH]6[cH]7[cH]89)N5[Si](C)(C)C(C)(C)C)[c]6([cH]1[cH]2[cH]3[cH]46)N([Si](C)(C)C(C)(C)C)[Ho]5(I)([O]1CCCC1)[O]1CCCC1
• Title of publication: Synthesis and Characterization of Paramagnetic Lanthanide Benzyl Complexes
• Authors of publication: Huang, Wenliang; Upton, Brianna M.; Khan, Saeed I.; Diaconescu, Paula L.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 5
• Pages of publication: 1379
• a: 11.1129 ± 0.0016 Å
• b: 11.6364 ± 0.0017 Å
• c: 16.175 ± 0.002 Å
• α: 101.74 ± 0.002°
• β: 91.948 ± 0.002°
• γ: 118.2 ± 0.001°
• Cell volume: 1784.2 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0642
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.108
• Weighted residual factors for all reflections included in the refinement: 0.1186
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No