Information card for entry 1512744

Structure parameters

• Formula: C67 H71 N7 O4 Sr2
• Calculated formula: C72 H76 N8 O4 Sr2
• SMILES: [Sr]1([n]2ccccc2)([n]2ccccc2)([n]2ccccc2)(Oc2c(cccc2C)C)[O](c2c(cccc2C)C)[Sr]([n]2ccccc2)([n]2ccccc2)([n]2ccccc2)(Oc2c(cccc2C)C)[O]1c1c(cccc1C)C.n1ccccc1.n1ccccc1
• Title of publication: Synthesis and characterization of the heavy alkaline earth aryloxide congeners
• Authors of publication: Timothy J. Boyle; Leigh Anna M. Steele; Alia Saad
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2013
• Journal volume: 394
• Pages of publication: 259 - 268
• a: 12.8064 ± 0.0009 Å
• b: 18.3229 ± 0.0013 Å
• c: 14.2866 ± 0.001 Å
• α: 90°
• β: 101.328 ± 0.001°
• γ: 90°
• Cell volume: 3287 ± 0.4 ų
• Cell temperature: 188 ± 2 K
• Ambient diffraction temperature: 188 ± 2 K
• Number of distinct elements: 5
• 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: 0.0886
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0619
• Weighted residual factors for all reflections included in the refinement: 0.0688
• Goodness-of-fit parameter for all reflections included in the refinement: 0.811
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No