Information card for entry 7001579

Structure parameters

• Common name: bis-(4-ammoniobutyrato-O,O')pentachloro-aquadirhenium(iii) chloride, dihydrate
• Chemical name: bis-(4-ammoniobutyrato-O,O')pentachloro-aquadirhenium(III) chloride, dihydrate
• Formula: C8 H24 Cl6 N2 O7 Re2
• Calculated formula: C8 H24 Cl6 N2 O7 Re2
• SMILES: [Re]12([Re](Cl)(Cl)([O]=C(O1)CCC[NH3+])(OC(=[O]2)CCC[NH3+])[OH2])(Cl)(Cl)Cl.[Cl-].O.O
• Title of publication: Synthesis, characterization, in vivo antitumor properties of the cluster rhenium compound with GABA ligands and its synergism with cisplatin
• Authors of publication: Shtemenko, Alexander V.; Collery, Philippe; Shtemenko, Natalia I.; Domasevitch, Konstantin V.; Zabitskaya, Elena D.; Golichenko, Alexander A.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 26
• Pages of publication: 5132 - 5136
• a: 9.2599 ± 0.0005 Å
• b: 12.7434 ± 0.0006 Å
• c: 19.1876 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2264.2 ± 0.2 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0205
• Residual factor for significantly intense reflections: 0.0174
• Weighted residual factors for significantly intense reflections: 0.0345
• Weighted residual factors for all reflections included in the refinement: 0.0348
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No