Information card for entry 4303638

Structure parameters

• Formula: C40 H72 Cl Fe Li N2 O3 Si2
• Calculated formula: C40 H72 Cl Fe Li N2 O3 Si2
• SMILES: [Fe]1(N([Si](C(C)C)(C(C)C)C(C)C)c2c3c(N1[Si](C(C)C)(C(C)C)C(C)C)cccc3ccc2)[Cl][Li]([O]1CCCC1)([O]1CCCC1)[O]1CCCC1
• Title of publication: Differing Coordination Environments in Transition Metal Derivatives of 1,8-Bis(silylamido)naphthalene Ligands
• Authors of publication: Alexander J. Blake; Nicola L. Gillibrand; Graeme J. Moxey; Deborah L. Kays
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 10837 - 10844
• a: 18.0516 ± 0.001 Å
• b: 15.5805 ± 0.0009 Å
• c: 31.812 ± 0.002 Å
• α: 90°
• β: 92.097 ± 0.002°
• γ: 90°
• Cell volume: 8941.2 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0772
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.0932
• Weighted residual factors for all reflections included in the refinement: 0.104
• Goodness-of-fit parameter for all reflections included in the refinement: 0.91
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No