Information card for entry 4333928

Structure parameters

• Chemical name: [tetrakis(mu-acetato)bis(2,6-diaminopurine-kN7)dirhodium(II)] -dimethylformamide (1/4)
• Formula: C30 H52 N16 O12 Rh2
• Calculated formula: C30 H52 N16 O12 Rh2
• SMILES: c1(nc(c2c(n1)[nH]c[n]2[Rh]1234[O]=C(O[Rh]4([O]=C(O1)C)([n]1c4c(nc(nc4N)N)[nH]c1)([O]=C(O2)C)OC(=[O]3)C)C)N)N.O=CN(C)C.O=CN(C)C.O=CN(C)C.O=CN(C)C
• Title of publication: Substituent and Noncovalent Interaction Effects in the Reactivity of Purine Derivatives with Tetracarboxylato-dirhodium(II) Units. Rationalization of a Rare Binding Mode via N3
• Authors of publication: Pilar Amo-Ochoa; Óscar Castillo; Ross W. Harrington; Félix Zamora; Andrew Houlton
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 2174 - 2181
• a: 8.1817 ± 0.0002 Å
• b: 31.4893 ± 0.0006 Å
• c: 8.2951 ± 0.0002 Å
• α: 90°
• β: 97.415 ± 0.002°
• γ: 90°
• Cell volume: 2119.24 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0289
• Residual factor for significantly intense reflections: 0.0246
• Weighted residual factors for significantly intense reflections: 0.0606
• Weighted residual factors for all reflections included in the refinement: 0.0619
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No