Information card for entry 7217910

Structure parameters

• Chemical name: [(±)-2,7,12-tripropoxy-3,8,13-tris(4-pyridylcarboxy)-10,15- dihydro-5H-tribenzo[a,d,g]cyclononene]silver (I) cobalt(III) bis(dicarbollide) hydrate dimethylformamide
• Formula: C59.5 H86.5 Ag B18 Co N5.5 O12.5
• Calculated formula: C59.5 H84.5 Ag B18 Co N5.5 O12.5
• 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: 10.324 ± 0.003 Å
• b: 18.828 ± 0.005 Å
• c: 21.852 ± 0.006 Å
• α: 69.016 ± 0.006°
• β: 84.428 ± 0.01°
• γ: 75.039 ± 0.01°
• Cell volume: 3831.4 ± 1.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0885
• Residual factor for significantly intense reflections: 0.0807
• Weighted residual factors for significantly intense reflections: 0.2334
• Weighted residual factors for all reflections included in the refinement: 0.2426
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: synchrotron
• Duplicate of: 7216487
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No