Information card for entry 4070911

Structure parameters

• Common name: 3
• Formula: C36 H80 N12 Sr2
• Calculated formula: C36 H80 N12 Sr2
• SMILES: C1(=[N](C(C)C)[Sr]234([N](C(C)C)=C([N]2(C(C)C)[Sr]25([N](C(C)C)=C(N2C(C)C)N(C)C)[N]3(C(C)C)=C([N]45C(C)C)N(C)C)N(C)C)N1C(C)C)N(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: 9.891 ± 0.0006 Å
• b: 11.804 ± 0.0007 Å
• c: 21.654 ± 0.0013 Å
• α: 90.608 ± 0.001°
• β: 93.615 ± 0.001°
• γ: 111.042 ± 0.001°
• Cell volume: 2353.4 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0441
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0801
• Weighted residual factors for all reflections included in the refinement: 0.0845
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No