Information card for entry 7028432

Structure parameters

• Formula: C54 H44 Cd3 N2 O14
• Calculated formula: C54 H44 Cd3 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: 16.488 ± 0.003 Å
• b: 16.488 ± 0.003 Å
• c: 16.704 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3932.7 ± 1.9 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: 0.0547
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0525
• Weighted residual factors for all reflections included in the refinement: 0.0543
• Goodness-of-fit parameter for all reflections included in the refinement: 0.924
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No