Information card for entry 7216489

Structure parameters

• Chemical name: {(±)-2,7,12-tripropoxy-3,8,13- tris(2-quinolylmethyl)-10,15-dihydro-5H-tribenzo[a,d,g] cyclononene}silver(I) cobalt(III) bis(dicarbollide) nitromethane
• Formula: C129.5 H163.5 Ag2 B36 Co2 N7.5 O15
• Calculated formula: C129.5 H163.5 Ag2 B36 Co2 N7.5 O15
• 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: 19.3628 ± 0.0007 Å
• b: 43.7924 ± 0.0011 Å
• c: 16.6371 ± 0.0006 Å
• α: 90°
• β: 90.525 ± 0.003°
• γ: 90°
• Cell volume: 14106.7 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.135
• Residual factor for significantly intense reflections: 0.1128
• Weighted residual factors for significantly intense reflections: 0.3054
• Weighted residual factors for all reflections included in the refinement: 0.3462
• Goodness-of-fit parameter for all reflections included in the refinement: 1.377
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No