Information card for entry 4075600

Structure parameters

• Common name: Cp*Rh(PTA)2Cl BPh4 MeOH
• Chemical name: Chloro-Pentamethylcyclodienyl-Bis-1,3,5-Triaza-7-phosphaadamantane- Rhodium(III) Tetraphenylborate with methanol solvate
• Formula: C46.7 H61.81 B Cl N6 O0.705 P2 Rh
• Calculated formula: C46.704 H61.816 B Cl N6 O0.704 P2 Rh
• Title of publication: In Vitro Evaluation of Rhodium and Osmium RAPTA Analogues: The Case for Organometallic Anticancer Drugs Not Based on Ruthenium
• Authors of publication: Dorcier, Antoine; Ang, Wee Han; Bolaño, Sandra; Gonsalvi, Luca; Juillerat-Jeannerat, Lucienne; Laurenczy, Gàbor; Peruzzini, Maurizio; Phillips, Andrew D.; Zanobini, Fabrizio; Dyson, Paul J.
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 17
• Pages of publication: 4090
• a: 11.985 ± 0.001 Å
• b: 30.388 ± 0.002 Å
• c: 13.002 ± 0.0009 Å
• α: 90°
• β: 107.8 ± 0.007°
• γ: 90°
• Cell volume: 4508.6 ± 0.6 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 8
• 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: 0.046
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.0967
• Weighted residual factors for all reflections included in the refinement: 0.0971
• Goodness-of-fit parameter for all reflections included in the refinement: 1.164
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No