Information card for entry 7019088

Structure parameters

• Common name: (bis((3-amino-1-hydroxypropane-1,1- diyl)bis(phosphonato))diaquacobalt(ii))
• Chemical name: {bis[(3-amino-1-hydroxypropane-1,1-diyl)bis(phosphonato)]diaquacobalt(II)}
• Formula: C6 H24 Co N2 O16 P4
• Calculated formula: C6 H24 Co N2 O16 P4
• SMILES: C1(CC[NH3+])(O)P(=O)(O[Co]2(OP1(=O)O)([OH2])(OP(=O)(C(CC[NH3+])(O)P(=O)(O2)O)O)[OH2])O
• Title of publication: Bisphosphonate metal complexes as selective inhibitors of Trypanosoma cruzi farnesyl diphosphate synthase.
• Authors of publication: Demoro, Bruno; Caruso, Francesco; Rossi, Miriam; Benítez, Diego; González, Mercedes; Cerecetto, Hugo; Galizzi, Melina; Malayil, Leena; Docampo, Roberto; Faccio, Ricardo; Mombrú, Alvaro W; Gambino, Dinorah; Otero, Lucía
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 21
• Pages of publication: 6468 - 6476
• a: 7.35 ± 0.006 Å
• b: 10.851 ± 0.009 Å
• c: 10.908 ± 0.009 Å
• α: 90°
• β: 94.407 ± 0.011°
• γ: 90°
• Cell volume: 867.4 ± 1.2 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0558
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.1004
• Weighted residual factors for all reflections included in the refinement: 0.1096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.19
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No