Information card for entry 7216488

Structure parameters

• Chemical name: aquodonitro[(±)-2,7,12-tripropoxy-3,8,13-tris(4-pyridylcarboxy)- 10,15-dihydro-5H-tribenzo[a,d,g]cyclononene]cadmium(II) diethylether dimethylformamide clathrate
• Formula: C106 H118 Cd2 N12 O35
• Calculated formula: C106 H114 Cd2 N12 O35
• Title of publication: Tuning the coordination chemistry of cyclotriveratrylene ligand pairs through alkyl chain aggregation
• Authors of publication: Henkelis, James J.; Hardie, Michaele J.
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 35
• Pages of publication: 8138
• a: 38.7 ± 0.003 Å
• b: 9.6729 ± 0.001 Å
• c: 38.853 ± 0.004 Å
• α: 90°
• β: 111.954 ± 0.004°
• γ: 90°
• Cell volume: 13490 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1749
• Residual factor for significantly intense reflections: 0.1335
• Weighted residual factors for significantly intense reflections: 0.385
• Weighted residual factors for all reflections included in the refinement: 0.4291
• Goodness-of-fit parameter for all reflections included in the refinement: 1.617
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No