Information card for entry 4075601

Structure parameters

• Common name: Cp*Rh(PTA)2Cl Cl 2HOH
• Chemical name: Chloro-Pentamethylcyclodienyl-Bis-1,3,5-Triaza-7-phosphaadamantane- Rhodium(III) Chloride with Water Solvate
• Formula: C22 H43 Cl2 N6 O2 P2 Rh
• Calculated formula: C22 H43 Cl2 N6 O2 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: 9.1729 ± 0.0018 Å
• b: 12.325 ± 0.003 Å
• c: 13.028 ± 0.003 Å
• α: 78.66 ± 0.03°
• β: 83.11 ± 0.03°
• γ: 70.94 ± 0.03°
• Cell volume: 1362.5 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1525
• Residual factor for significantly intense reflections: 0.0635
• Weighted residual factors for significantly intense reflections: 0.0967
• Weighted residual factors for all reflections included in the refinement: 0.1218
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No