Information card for entry 7251122

Structure parameters

• Formula: C37.75 H37 N2 O13.75 Sr2
• Calculated formula: C37.75 H37 N2 O13.75 Sr2
• Title of publication: Structural chemistry and environment-dependent fluorescence of a tetratopic pyrrolo[3,2-b]pyrrole ligand
• Authors of publication: Brown, Corey L.; Elliott, Scarlett H.; Woodfine, Sian E.; Hawes, Chris S.
• Journal of publication: CrystEngComm
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 45
• Pages of publication: 7358 - 7366
• a: 12.1771 ± 0.0005 Å
• b: 13.2036 ± 0.0006 Å
• c: 14.7842 ± 0.0006 Å
• α: 72.297 ± 0.001°
• β: 81.998 ± 0.001°
• γ: 82.619 ± 0.001°
• Cell volume: 2233.05 ± 0.16 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.099
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.1406
• Weighted residual factors for all reflections included in the refinement: 0.1576
• 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