Information card for entry 7000745

Structure parameters

• Chemical name: Dichlorobis(acetonitrile)(μ-1,4-Bis[bis(bis(o- methoxyphenoxy)phosphino)amino]benzene-1κ^2^P,P'; 2κ^2^P",P"')dirhodium(I)
• Formula: C66 H66 Cl2 N4 O16 P4 Rh2
• Calculated formula: C66 H66 Cl2 N4 O16 P4 Rh2
• SMILES: c1(ccccc1OC)O[P]1(N([P](Oc2ccccc2OC)([Rh]1(Cl)[N]#CC)Oc1ccccc1OC)c1ccc(N2[P](Oc3ccccc3OC)(Oc3ccccc3OC)[Rh](Cl)([N]#CC)[P]2(Oc2ccccc2OC)Oc2ccccc2OC)cc1)Oc1ccccc1OC
• Title of publication: Di-, tetra- and polynuclear RhI complexes containing phenylene-1,4-diaminotetra(phosphonite), p-C6H4[N{P(OC6H4OMe-o)2}2]2 and their catalytic investigation towards transfer hydrogenation reactions
• Authors of publication: Ganesamoorthy, Chelladurai; Balakrishna, Maravanji S.; Mague, Joel T.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 11
• Pages of publication: 1984 - 1990
• a: 9.2409 ± 0.0005 Å
• b: 11.0859 ± 0.0006 Å
• c: 17.0064 ± 0.0009 Å
• α: 84.207 ± 0.001°
• β: 77.819 ± 0.001°
• γ: 88.35 ± 0.001°
• Cell volume: 1694.23 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0384
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0769
• Weighted residual factors for all reflections included in the refinement: 0.081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No