Information card for entry 4070913

Structure parameters

• Common name: 6
• Formula: C46 H86 N6 Sr2
• Calculated formula: C46 H86 N6 Sr2
• SMILES: [c]12([c]3([c]4([c]5([c]1(C)[Sr]1672345[N]2(=C(N(C(C)C)C(C)C)[N]7(C(C)C)[Sr]345782([N]1(C(C)C)=C([N]68C(C)C)N(C(C)C)C(C)C)[c]1([c]7([c]5([c]4([c]31C)C)C)C)C)C(C)C)C)C)C)C
• Title of publication: Synthesis and Structure of Strontium and Barium Guanidinates and Mixed-Ligand Guanidinate Pentamethylcyclopentadienyl Complexes
• Authors of publication: Cameron, Thomas M.; Xu, Chongying; Dipasquale, Antonio G.; Rheingold, Arnold L.
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 7
• Pages of publication: 1596
• a: 12.015 ± 0.0015 Å
• b: 12.68 ± 0.0016 Å
• c: 16.614 ± 0.002 Å
• α: 90°
• β: 102.513 ± 0.002°
• γ: 90°
• Cell volume: 2471 ± 0.5 ų
• Cell temperature: 208 ± 2 K
• Ambient diffraction temperature: 208 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.049
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0806
• Weighted residual factors for all reflections included in the refinement: 0.0858
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No