Information card for entry 7028434

Structure parameters

• Formula: C54 H44 Mn3 N2 O14
• Calculated formula: C54 H44 Mn3 N2 O14
• Title of publication: Homo- and heterometallic luminescent 2-D stilbene metal-organic frameworks.
• Authors of publication: Bauer, Christina A.; Jones, Simon C.; Kinnibrugh, Tiffany L.; Tongwa, Paul; Farrell, Richard A.; Vakil, Avinash; Timofeeva, Tatiana V.; Khrustalev, Victor N.; Allendorf, Mark D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 7
• Pages of publication: 2925 - 2935
• a: 16.3456 ± 0.0019 Å
• b: 16.3456 ± 0.0019 Å
• c: 16.59 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3838.7 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0715
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.1574
• Weighted residual factors for all reflections included in the refinement: 0.1661
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No