Information card for entry 7109718

Structure parameters

• Formula: C126 H161 Cl14 Cr9 Cu6 N18 O65.5
• Calculated formula: C126 H108 Cl14 Cr9 Cu6 N18 O65.5
• Title of publication: Two-step crystal engineering of porous nets from [Cr/3(mu/3-O)(RCO/2)6] and [Cu/3(mu/3-Cl)(RNH2)/6Cl/6] molecular building blocks
• Authors of publication: Sameh K. Elsaidi; Mona H. Mohamed; Lukasz Wojtas; Amy J. Cairns; Mohamed Eddaoudi; Michael J. Zaworotko
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 8154
• a: 29.72 ± 0.02 Å
• b: 29.72 ± 0.02 Å
• c: 26.388 ± 0.018 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 20185 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 193
• Hermann-Mauguin space group symbol: P 63/m c m
• Hall space group symbol: -P 6c 2
• Residual factor for all reflections: 0.1336
• Residual factor for significantly intense reflections: 0.0931
• Weighted residual factors for significantly intense reflections: 0.229
• Weighted residual factors for all reflections included in the refinement: 0.2452
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.40663 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No