Information card for entry 7001519

Structure parameters

• Formula: C78 H114 O12 Sr3
• Calculated formula: C78 H114 O12 Sr3
• SMILES: [Sr]1234([O]([Sr]([O]1c1c(cc(cc1C)C)C)([O]2c1c(cc(cc1C)C)C)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1)c1c(cc(cc1C)C)C)[O]([Sr]([O]3c1c(cc(cc1C)C)C)([O]4c1c(cc(cc1C)C)C)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1)c1c(cc(cc1C)C)C
• Title of publication: Metal based synthetic routes to heavy alkaline earth aryloxo complexes involving ligands of moderate steric bulk
• Authors of publication: Deacon, Glen B.; Junk, Peter C.; Moxey, Graeme J.; Guino-o, Marites; Ruhlandt-Senge, Karin
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 25
• Pages of publication: 4878 - 4887
• a: 11.768 ± 0.002 Å
• b: 12.175 ± 0.002 Å
• c: 14.278 ± 0.003 Å
• α: 110.011 ± 0.004°
• β: 98.708 ± 0.005°
• γ: 96.887 ± 0.006°
• Cell volume: 1867.3 ± 0.6 ų
• Cell temperature: 95 ± 2 K
• Ambient diffraction temperature: 95 ± 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: 0.1417
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.1038
• Weighted residual factors for all reflections included in the refinement: 0.1299
• Goodness-of-fit parameter for all reflections included in the refinement: 0.648
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No