Information card for entry 4070912

Structure parameters

• Common name: 4
• Formula: C52 H112 N12 Sr2
• Calculated formula: C52 H112 N12 Sr2
• SMILES: C1(=[N](C(C)C)[Sr]234([N]5(C(C)C)=C([N]2(C(C)C)[Sr]256([N](C(C)C)=C(N2C(C)C)N(C(C)C)C(C)C)[N]3(C(C)C)=C([N]46C(C)C)N(C(C)C)C(C)C)N(C(C)C)C(C)C)N1C(C)C)N(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: 15.289 ± 0.0018 Å
• b: 23.481 ± 0.003 Å
• c: 34.845 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12509 ± 3 ų
• Cell temperature: 208 ± 2 K
• Ambient diffraction temperature: 208 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0906
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.0932
• Weighted residual factors for all reflections included in the refinement: 0.1095
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No